wwPDB EM Map/Model Validation Report i

wwPDB EM Map/Model Validation Report i

wwPDB EM Map/Model Validation Report
O
i
Apr 10, 2016 03:08 PM BST
PDB ID : 4V74
EMDB ID: : EMD-1720
Title : 70S-fMetVal-tRNAVal-tRNAfMet complex in hybrid pre-translocation state
(pre5b)
Authors : Blau, C.; Bock, L.V.; Schroder, G.F.; Davydov, I.; Fischer, N.; Stark, H.;
Rodnina, M.V.; Vaiana, A.C.; Grubmuller, H.
Deposited on : 2013-10-14
Resolution : 17.00 Å(reported)
Based on PDB ID : 3I1O, 2HGP, 2WRI, 2K4C
This is a wwPDB EM Map/Model Validation Report for a publicly released PDB/EMDB entry.
For rigid body tted models, validation errors reported here could
stem from errors in the original structure(s) used in the tting.
We welcome your comments at [email protected]
A user guide is available at
http://wwpdb.org/validation/2016/EMValidationReportHelp
MolProbity
Mogul
Percentile statistics
Ideal geometry (proteins)
Ideal geometry (DNA, RNA)
Validation Pipeline (wwPDB-VP)
:
:
:
:
:
:
4.02b-467
1.7.1 (RC1), CSD as537be (2016)
20151230.v01 (using entries in the PDB archive December 30th 2015)
Engh & Huber (2001)
Parkinson et. al. (1996)
trunk27241
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Overall quality at a glance
O
4V74
i
The following experimental techniques were used to determine the structure:
ELECTRON MICROSCOPY
The reported resolution of this entry is 17.00 Å.
Percentile scores (ranging between 0-100) for global validation metrics of the entry are shown in
the following graphic. The table shows the number of entries on which the scores are based.
Metric
Clashscore
Ramachandran outliers
Sidechain outliers
RNA backbone
Whole archive
(#Entries)
114402
111179
111093
3027
EM structures
(#Entries)
924
726
686
244
The table below summarises the geometric issues observed across the polymeric chains. The red,
orange, yellow and green segments on the bar indicate the fraction of residues that contain outliers
for >=3, 2, 1 and 0 types of geometric quality criteria. A grey segment represents the fraction
of residues that are not modelled. The numeric value for each fraction is indicated below the
corresponding segment, with a dot representing fractions <=5%
Mol Chain Length
1
AB
220
2
AC
208
3
AD
206
4
AE
152
5
AF
101
6
AG
152
7
AH
130
8
AI
128
Quality of chain
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Mol Chain Length
9
AJ
100
10
AK
118
11
AL
124
12
AM
115
13
AN
101
14
AO
89
15
AP
81
16
AQ
82
17
AR
57
18
AS
81
19
AT
86
20
AU
53
21
AA
1533
22
A1
76
23
A2
15
24
A3
77
25
BC
273
26
BD
209
27
BE
201
28
BF
179
29
BG
177
30
BH
149
31
BI
142
32
BJ
142
33
BK
123
4V74
Quality of chain
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Mol Chain Length
34
BL
144
35
BM
136
36
BN
121
37
BO
117
38
BP
115
39
BQ
118
40
BR
103
41
BS
110
42
BT
94
43
BU
104
44
BV
94
45
BW
80
46
BX
79
47
BY
63
48
BZ
59
49
B0
57
50
B1
52
51
B2
46
52
B3
65
53
B4
38
54
BA
2903
55
BB
118
56
B5
234
Quality of chain
4V74
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Entry composition
4V74
O
i
There are 58 unique types of molecules in this entry. The entry contains 147653 atoms, of which
0 are hydrogens and 0 are deuteriums.
In the tables below, the AltConf column contains the number of residues with at least one atom
in alternate conformation and the Trace column contains the number of residues modelled with at
most 2 atoms.
ˆ Molecule 1 is a protein called 30S ribosomal protein S2.
Mol Chain Residues
1
AB
220
Atoms
Total C
N
O S
1708 1083 306 312 7
AltConf Trace
0
1
There are 2 discrepancies between the modelled and reference sequences:
Chain Residue Modelled Actual
AB
AB
7
226
ACE
NH2
-
Comment
Reference
ACETYLATION UNP P0A7V0
AMIDATION
UNP P0A7V0
ˆ Molecule 2 is a protein called 30S ribosomal protein S3.
Mol Chain Residues
2
AC
207
Atoms
Total C
N
O S
1625 1028 306 288 3
AltConf Trace
0
1
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual Comment
AC
207
NH2
-
Reference
AMIDATION UNP P0A7V3
ˆ Molecule 3 is a protein called 30S ribosomal protein S4.
Mol Chain Residues
3
AD
205
Atoms
Total C
N
O S
1643 1026 315 298 4
AltConf Trace
0
0
ˆ Molecule 4 is a protein called 30S ribosomal protein S5.
Mol Chain Residues
4
AE
152
Atoms
Total C
N
O S
1109 689 212 202 6
AltConf Trace
0
1
There are 2 discrepancies between the modelled and reference sequences:
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Chain Residue Modelled Actual
AE
AE
8
159
ACE
NH2
-
Comment
4V74
Reference
ACETYLATION UNP P0A7W1
AMIDATION
UNP P0A7W1
ˆ Molecule 5 is a protein called 30S ribosomal protein S6.
Mol Chain Residues
5
AF
101
Atoms
Total C
N
O S
818 515 149 148 6
AltConf Trace
0
1
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual Comment
AF
101
NH2
-
Reference
AMIDATION UNP P02358
ˆ Molecule 6 is a protein called 30S ribosomal protein S7.
Mol Chain Residues
6
AG
152
Atoms
Total C
N
O S
1178 732 227 215 4
AltConf Trace
0
1
There are 2 discrepancies between the modelled and reference sequences:
Chain Residue Modelled Actual
AG
AG
1
152
ACE
NH2
-
Comment
Reference
ACETYLATION UNP P02359
AMIDATION
UNP P02359
ˆ Molecule 7 is a protein called 30S ribosomal protein S8.
Mol Chain Residues
7
AH
129
Atoms
Total C
N
O S
979 616 173 184 6
AltConf Trace
0
0
ˆ Molecule 8 is a protein called 30S ribosomal protein S9.
Mol Chain Residues
8
AI
128
Atoms
Total C
N
O S
1025 636 206 180 3
AltConf Trace
0
0
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual
AI
2
ACE
-
Comment
Reference
ACETYLATION UNP P0A7X3
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4V74
ˆ Molecule 9 is a protein called 30S ribosomal protein S10.
Mol Chain Residues
9
AJ
100
Atoms
Total C
N
O S
790 495 151 143 1
AltConf Trace
0
1
There are 2 discrepancies between the modelled and reference sequences:
Chain Residue Modelled Actual
AJ
AJ
4
103
ACE
NH2
-
Comment
Reference
ACETYLATION UNP P0A7R5
AMIDATION
UNP P0A7R5
ˆ Molecule 10 is a protein called 30S ribosomal protein S11.
Mol Chain Residues
10
AK
118
Atoms
Total C
N
O S
880 542 174 161 3
AltConf Trace
0
0
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual
AK
11
ACE
-
Comment
Reference
ACETYLATION UNP P0A7R9
ˆ Molecule 11 is a protein called 30S ribosomal protein S12.
Mol Chain Residues
11
AL
123
Atoms
Total C
N
O S
955 590 196 165 4
AltConf Trace
0
0
ˆ Molecule 12 is a protein called 30S ribosomal protein S13.
Mol Chain Residues
12
AM
114
Atoms
Total C
N
O S
877 541 178 155 3
AltConf Trace
0
1
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual Comment
AM
114
NH2
-
Reference
AMIDATION UNP P0A7S9
ˆ Molecule 13 is a protein called 30S ribosomal protein S14.
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Mol Chain Residues
13
AN
100
Atoms
4V74
AltConf Trace
Total C
N
O S
805 499 164 139 3
0
0
ˆ Molecule 14 is a protein called 30S ribosomal protein S15.
Mol Chain Residues
14
AO
88
Atoms
AltConf Trace
Total C
N
O S
714 439 144 130 1
0
0
ˆ Molecule 15 is a protein called 30S ribosomal protein S16.
Mol Chain Residues
15
AP
81
Atoms
AltConf Trace
Total C
N
O S
639 400 127 111 1
0
1
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual Comment
AP
81
NH2
-
Reference
AMIDATION UNP P0A7T3
ˆ Molecule 16 is a protein called 30S ribosomal protein S17.
Mol Chain Residues
16
AQ
82
Atoms
AltConf Trace
Total C
N
O S
652 413 122 114 3
0
1
There are 2 discrepancies between the modelled and reference sequences:
Chain Residue Modelled Actual
AQ
AQ
2
83
ACE
NH2
-
Comment
Reference
ACETYLATION UNP P0AG63
AMIDATION
UNP P0AG63
ˆ Molecule 17 is a protein called 30S ribosomal protein S18.
Mol Chain Residues
17
AR
57
Atoms
Total C N O
459 290 87 82
AltConf Trace
0
1
There are 2 discrepancies between the modelled and reference sequences:
Chain Residue Modelled Actual
AR
18
ACE
-
Comment
Reference
ACETYLATION UNP P0A7T7
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Chain Residue Modelled Actual
AR
74
NH2
-
Comment
4V74
Reference
AMIDATION
UNP P0A7T7
ˆ Molecule 18 is a protein called 30S ribosomal protein S19.
Mol Chain Residues
18
AS
81
Atoms
AltConf Trace
Total C
N
O S
641 410 121 108 2
0
1
There are 2 discrepancies between the modelled and reference sequences:
Chain Residue Modelled Actual
AS
AS
1
81
ACE
NH2
-
Comment
Reference
ACETYLATION UNP P0A7U3
AMIDATION
UNP P0A7U3
ˆ Molecule 19 is a protein called 30S ribosomal protein S20.
Mol Chain Residues
19
AT
86
Atoms
AltConf Trace
Total C
N
O S
668 413 137 115 3
0
0
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual
AT
1
ACE
-
Comment
Reference
ACETYLATION UNP P0A7U7
ˆ Molecule 20 is a protein called 30S ribosomal protein S21.
Mol Chain Residues
20
AU
53
Atoms
Total C N O S
429 267 87 74 1
AltConf Trace
0
1
There are 2 discrepancies between the modelled and reference sequences:
Chain Residue Modelled Actual
AU
AU
2
54
ACE
NH2
-
Comment
Reference
ACETYLATION UNP P68679
AMIDATION
UNP P68679
ˆ Molecule 21 is a RNA chain called 16S ribosomal RNA.
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Mol Chain Residues
21
AA
1530
Atoms
Total
C
N
O
P
32828 14642 6024 10633 1529
ˆ Molecule 22 is a RNA chain called fMet-Val-tRNA-Val.
Mol Chain Residues
22
A1
76
Atoms
4V74
AltConf Trace
0
0
AltConf Trace
Total C
N
O P S
1627 728 292 531 75 1
0
0
ˆ Molecule 23 is a RNA chain called 5'-R(*AP*CP*UP*AP*UP*GP*GP*UP*UP*UP*UP*U
P*AP*UP*U)-3'.
Mol Chain Residues
23
A2
15
Atoms
Total C N O P
309 140 46 109 14
AltConf Trace
0
ˆ Molecule 24 is a RNA chain called tRNA-fMet.
Mol Chain Residues
24
A3
77
Atoms
0
AltConf Trace
Total C
N
O P S
1642 734 297 534 76 1
0
0
ˆ Molecule 25 is a protein called 50S ribosomal protein L2.
Mol Chain Residues
25
BC
272
Atoms
Total C
N
O S
2083 1288 424 364 7
AltConf Trace
0
1
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual Comment
BC
272
NH2
-
Reference
AMIDATION UNP P60422
ˆ Molecule 26 is a protein called 50S ribosomal protein L3.
Mol Chain Residues
26
BD
209
Atoms
Total C
N
O S
1565 979 288 294 4
AltConf Trace
ˆ Molecule 27 is a protein called 50S ribosomal protein L4.
0
0
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Mol Chain Residues
27
BE
201
Atoms
Total C
N
O S
1552 974 283 290 5
4V74
AltConf Trace
0
0
ˆ Molecule 28 is a protein called 50S ribosomal protein L5.
Mol Chain Residues
28
BF
178
Atoms
Total C
N
O S
1420 905 251 258 6
AltConf Trace
0
0
ˆ Molecule 29 is a protein called 50S ribosomal protein L6.
Mol Chain Residues
29
BG
176
Atoms
Total C
N
O S
1323 832 243 246 2
AltConf Trace
0
0
ˆ Molecule 30 is a protein called 50S ribosomal protein L9.
Mol Chain Residues
30
BH
149
Atoms
Total C
N
O S
1111 699 197 214 1
AltConf Trace
0
0
ˆ Molecule 31 is a protein called 50S ribosomal protein L11.
Mol Chain Residues
31
BI
141
Atoms
Total C
N
O S
1032 651 179 196 6
AltConf Trace
0
0
ˆ Molecule 32 is a protein called 50S ribosomal protein L13.
Mol Chain Residues
32
BJ
142
Atoms
Total C
N
O S
1129 714 212 199 4
AltConf Trace
0
0
ˆ Molecule 33 is a protein called 50S ribosomal protein L14.
Mol Chain Residues
33
BK
123
Atoms
Total C
N
O S
939 587 181 165 6
AltConf Trace
0
1
There is a discrepancy between the modelled and reference sequences:
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Chain Residue Modelled Actual Comment
BK
123
NH2
-
4V74
Reference
AMIDATION UNP P0ADY3
ˆ Molecule 34 is a protein called 50S ribosomal protein L15.
Mol Chain Residues
34
BL
143
Atoms
Total C
N
O S
1045 649 206 189 1
AltConf Trace
0
0
ˆ Molecule 35 is a protein called 50S ribosomal protein L16.
Mol Chain Residues
35
BM
136
Atoms
Total C
N
O S
1074 686 205 177 6
AltConf Trace
0
0
ˆ Molecule 36 is a protein called 50S ribosomal protein L17.
Mol Chain Residues
36
BN
121
Atoms
Total C
N
O S
961 593 197 166 5
AltConf Trace
0
1
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual Comment
BN
121
NH2
-
Reference
AMIDATION UNP P0AG44
ˆ Molecule 37 is a protein called 50S ribosomal protein L18.
Mol Chain Residues
37
BO
116
Atoms
Total C
N
O
892 552 178 162
AltConf Trace
0
0
ˆ Molecule 38 is a protein called 50S ribosomal protein L19.
Mol Chain Residues
38
BP
114
Atoms
Total C
N
O S
917 574 179 163 1
AltConf Trace
0
0
ˆ Molecule 39 is a protein called 50S ribosomal protein L20.
Mol Chain Residues
39
BQ
117
Atoms
Total C
N
O
947 604 192 151
AltConf Trace
0
0
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4V74
ˆ Molecule 40 is a protein called 50S ribosomal protein L21.
Mol Chain Residues
40
BR
103
Atoms
Total C
N
O S
816 516 153 145 2
AltConf Trace
0
0
ˆ Molecule 41 is a protein called 50S ribosomal protein L22.
Mol Chain Residues
41
BS
110
Atoms
Total C
N
O S
857 532 166 156 3
AltConf Trace
0
0
ˆ Molecule 42 is a protein called 50S ribosomal protein L23.
Mol Chain Residues
42
BT
94
Atoms
Total C
N
O S
739 466 140 131 2
AltConf Trace
0
1
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual Comment
BT
94
NH2
-
Reference
AMIDATION UNP P0ADZ0
ˆ Molecule 43 is a protein called 50S ribosomal protein L24.
Mol Chain Residues
43
BU
103
Atoms
Total C
N
O
780 492 147 141
AltConf Trace
0
1
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual Comment
BU
103
NH2
-
Reference
AMIDATION UNP P60624
ˆ Molecule 44 is a protein called 50S ribosomal protein L25.
Mol Chain Residues
44
BV
94
Atoms
Total C
N
O S
753 479 137 134 3
AltConf Trace
ˆ Molecule 45 is a protein called 50S ribosomal protein L27.
0
0
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Mol Chain Residues
45
BW
80
Atoms
4V74
AltConf Trace
Total C
N
O S
599 369 120 109 1
0
0
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual
BW
5
ACE
-
Comment
Reference
ACETYLATION UNP P0A7L8
ˆ Molecule 46 is a protein called 50S ribosomal protein L28.
Mol Chain Residues
46
BX
77
Atoms
AltConf Trace
Total C
N
O S
625 388 129 106 2
0
0
There is a discrepancy between the modelled and reference sequences:
Chain Residue Modelled Actual
BX
-1
ACE
-
Comment
Reference
ACETYLATION UNP P0A7M2
ˆ Molecule 47 is a protein called 50S ribosomal protein L29.
Mol Chain Residues
47
BY
63
Atoms
Total C N O S
509 313 99 95 2
AltConf Trace
0
0
ˆ Molecule 48 is a protein called 50S ribosomal protein L30.
Mol Chain Residues
48
BZ
58
Atoms
Total C N O S
449 281 87 79 2
AltConf Trace
0
0
ˆ Molecule 49 is a protein called 50S ribosomal protein L32.
Mol Chain Residues
49
B0
56
Atoms
Total C N O S
444 269 94 80 1
AltConf Trace
0
0
ˆ Molecule 50 is a protein called 50S ribosomal protein L33.
Mol Chain Residues
50
B1
52
Atoms
Total C N O
413 265 76 72
AltConf Trace
0
1
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4V74
There are 2 discrepancies between the modelled and reference sequences:
Chain Residue Modelled Actual
B1
B1
2
53
ACE
NH2
-
Comment
Reference
ACETYLATION UNP P0A7N9
AMIDATION
UNP P0A7N9
ˆ Molecule 51 is a protein called 50S ribosomal protein L34.
Mol Chain Residues
51
B2
46
Atoms
Total C N O S
377 228 90 57 2
AltConf Trace
0
0
ˆ Molecule 52 is a protein called 50S ribosomal protein L35.
Mol Chain Residues
52
B3
64
Atoms
Total C
N O S
504 323 105 74 2
AltConf Trace
0
0
ˆ Molecule 53 is a protein called 50S ribosomal protein L36.
Mol Chain Residues
53
B4
38
Atoms
Total C N O S
302 185 65 48 4
AltConf Trace
0
0
ˆ Molecule 54 is a RNA chain called 23S ribosomal RNA.
Mol Chain Residues
54
BA
2903
Atoms
Total
C
N
O
P
62317 27801 11467 20147 2902
ˆ Molecule 55 is a RNA chain called 5S ribosomal RNA.
Mol Chain Residues
55
BB
117
AltConf Trace
Atoms
0
AltConf Trace
Total C
N
O
P
2504 1116 459 813 116
0
0
ˆ Molecule 56 is a protein called 50S ribosomal protein L1.
Mol Chain Residues
56
B5
223
Atoms
Total C
N
O S
1658 1038 302 312 6
0
AltConf Trace
0
0
ˆ Molecule 57 is VALINE (three-letter code: VAL) (formula: C5 H11 NO2 ).
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Mol Chain Residues
57
A1
1
Atoms
Total C N O
7
5 1 1
4V74
AltConf
0
ˆ Molecule 58 is N-FORMYLMETHIONINE (three-letter code: FME) (formula: C6 H11 NO3 S).
Mol Chain Residues
58
BA
1
Atoms
Total C N O S
10
6 1 2 1
AltConf
0
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O
Residue-property plots
4V74
i
These plots are drawn for all protein, RNA and DNA chains in the entry. The rst graphic for a
chain summarises the proportions of errors displayed in the second graphic. The second graphic
shows the sequence view annotated by issues in geometry. Residues are color-coded according to
the number of geometric quality criteria for which they contain at least one outlier: green = 0,
yellow = 1, orange = 2 and red = 3 or more. Stretches of 2 or more consecutive residues without
any outlier are shown as a green connector. Residues present in the sample, but not in the model,
are shown in grey.
• Molecule 1: 30S ribosomal protein S2
R224
S225
?226
R221
R136
T137
R138
R112
R107
R94
T71
R62
L56
R34
K25
?7
Chain AB:
• Molecule 2: 30S ribosomal protein S3
R178
K198
I206
?207
R153
R164
R183
Y167
R168
R163
R155
A145
R142
R135
M128
F129
R130
R131
R125
R106
R87
R71
R64
V65
R58
R53
V14
MET
G1
Chain AC:
• Molecule 3: 30S ribosomal protein S4
• Molecule 4: 30S ribosomal protein S5
K155
R156
G157
K158
?159
M151
R137
R111
G103
I104
I105
R67
R68
R53
E54
G43
R28
K25
K22
?8
Chain AE:
• Molecule 5: 30S ribosomal protein S6
?101
R91
R86
R79
N63
Y59
N52
R44
R38
V10
I6
M1
Chain AF:
• Molecule 6: 30S ribosomal protein S7
Chain AG:
K205
E196
R127
R114
R110
R103
R96
R72
R69
R61
R55
R46
L47
S48
A42
D28
V24
R25
R12
R13
MET
A1
R2
Y3
L4
Chain AD:
W101
R90
R85
R81
R69
R61
N62
R63
C64
R65
R53
R41
W42
R24
R13
R9
MET
A2
• Molecule 13: 30S ribosomal protein S14
Chain AN:
R112
K113
?114
R106
T107
R108
R91
R92
R86
D81
R78
R69
G66
R56
R28
I21
Y22
H11
MET
A1
R2
I3
• Molecule 12: 30S ribosomal protein S13
Chain AM:
K122
A123
R113
D108
R109
R93
Y94
R85
V86
K87
R82
V78
R53
V54
R55
R49
K43
C33
T34
R35
R30
R13
R8
MET
A1
R127
V128
R121
H117
R92
R68
R55
R52
R36
?11
R12
L102
?103
D75
R72
R68
V57
R48
L42
P43
T44
R45
G38
R31
D19
R16
?4
R5
I6
R7
I8
R9
• Molecule 9: 30S ribosomal protein S10
Chain AJ:
• Molecule 10: 30S ribosomal protein S11
Chain AK:
• Molecule 11: 30S ribosomal protein S12
Chain AL:
R129
Q125
R118
K119
A120
R121
R122
V115
R112
R108
R105
R94
R84
R79
D55
R48
R40
E41
T42
A43
R44
R32
R17
R10
R11
?2
A129
R113
S104
R87
R83
V77
A69
Q66
L60
D53
F44
K40
R12
I13
R14
MET
S1
?152
R142
R137
D125
R118
R108
K109
R110
R101
R94
R95
R91
R77
R78
R69
A60
S56
R52
R9
?1
R2
R3
R4
V5
Page 18
wwPDB EM Map/Model Validation Report
• Molecule 7: 30S ribosomal protein S8
Chain AH:
• Molecule 8: 30S ribosomal protein S9
Chain AI:
4V74
Page 19
wwPDB EM Map/Model Validation Report
• Molecule 14: 30S ribosomal protein S15
R88
R71
Y68
R62
R63
R57
R52
H45
K46
K47
D48
N19
R16
MET
S1
Chain AO:
• Molecule 15: 30S ribosomal protein S16
N79
K80
?81
R70
R51
R35
R31
R25
N26
A27
R28
Y17
R14
A11
R8
R5
M1
Chain AP:
• Molecule 16: 30S ribosomal protein S17
?83
R76
R61
L43
R26
E17
R10
L7
?2
Chain AQ:
• Molecule 17: 30S ribosomal protein S18
R72
H73
?74
Y69
L66
R60
A61
R62
Y63
R56
R52
R47
R42
I32
D21
?18
Chain AR:
• Molecule 18: 30S ribosomal protein S19
R77
T78
Y79
R80
?81
R54
R31
T32
W33
S34
R35
R36
L4
K5
?1
Chain AS:
• Molecule 19: 30S ribosomal protein S20
A86
R59
M27
R28
R24
R17
R9
?1
Chain AT:
• Molecule 20: 30S ribosomal protein S21
?54
R44
E30
V31
R32
R33
K24
A25
G26
V27
R20
R16
R17
V13
?2
Chain AU:
• Molecule 21: 16S ribosomal RNA
Chain AA:
4V74
A1019
G1020
A1021
A1022
U1025
G1026
C1027
C1028
U1029
U1030
C1031
G1032
G1033
G1034
A1035
A1092
A1093
G1094
U1095
C1096
C1097
C1098
G1099
C1100
A1101
A1102
U1010
C1011
A1012
G1013
A1014
G1015
A1016
A1004
A1005
G1006
G988
U989
C990
U991
U992
G993
A994
C995
A996
U997
C998
C999
A1000
C1001
C970
G971
C972
G973
A974
A975
G976
A977
A978
C979
C980
U981
U982
A983
C984
C985
U1075
U1076
G1077
U1078
G1079
A1080
A1081
A1082
U1083
G1084
U1085
U1086
A1042
G1043
A1044
C1045
A1046
G1047
G1048
U1049
G1050
C1051
U1052
G1053
C1054
A1055
U1056
G1057
G1058
C1059
U1060
G1061
U1062
C1063
G1064
U1065
C1066
A1067
G1068
C1069
U1070
C1071
A1036
C1037
C1038
G1039
C931
C932
G933
C934
A935
C936
A937
A938
G939
C940
G941
G942
U943
G944
G945
A946
G947
C948
A949
U950
G951
U952
G953
G954
U955
U956
U957
A958
A959
U960
U961
C962
G963
A964
U965
G966
C967
A968
A969
A908
A909
C910
U911
C912
A913
A914
A915
U916
G917
A918
A919
U920
U921
G922
A923
C924
G925
G926
G927
U905
A906
A907
C876
G877
A878
C879
C880
G881
C882
C883
U884
G885
G886
G887
G888
A889
G890
U891
A892
C893
G894
G895
C896
C897
G898
C899
A900
A901
G902
C856
C857
G858
G859
A860
G861
C862
U863
A864
A865
C866
G867
C868
G869
U870
U871
A872
A873
G852
C853
U843
G844
A845
G846
G847
C848
C839
C840
C841
U842
C805
C806
A807
C808
G809
C810
C811
G812
U813
A814
A815
A816
C817
G818
A819
U820
G821
U822
C823
G824
A825
C826
U827
U828
G829
G830
A831
G832
G833
A790
G791
A792
U793
A794
C795
C796
C797
U798
G799
G800
U801
A802
A787
A777
G778
C779
A780
A781
A782
C783
A784
C726
G727
A728
A729
G730
G731
C732
G733
G734
C735
C736
C737
C738
C739
U740
G741
G742
A743
C744
G745
A746
A747
G748
A749
C750
U751
G752
A753
C754
G755
C756
U757
C758
A759
G760
G761
U762
G763
C764
G765
A766
A767
A768
G769
C770
G771
G711
A712
G713
G714
A715
A716
U717
A718
C719
C720
G721
G722
A673
G674
A675
A676
U677
U678
C679
C680
A681
G682
G683
U684
G685
U686
A687
G688
C689
G690
G691
U692
G693
A694
A695
A696
U697
G698
C699
G700
U701
A702
G703
A704
G705
A706
U707
C708
G669
G670
C647
A648
A649
G650
C651
U652
U653
G654
A655
G656
U657
C658
U659
C660
G661
U662
A663
G664
A665
G666
G646
A640
U641
A642
C643
U593
U594
A595
A596
G597
U598
C599
A600
G601
A602
U603
G604
U605
G606
A607
A608
A609
U610
C611
C612
C613
C614
G615
G616
G617
C618
U619
C620
A621
A622
C623
C624
U625
G626
G627
G628
A629
A630
C631
U632
G633
C634
A635
U636
C637
C582
A583
G584
G585
C586
G587
G588
C545
A546
A547
G548
C549
G550
U551
U552
A553
A554
U555
C556
G557
G558
A559
A560
U561
U562
A563
C564
U565
G566
G567
G568
C569
G570
U571
A572
A573
A574
G575
C576
G577
C578
A579
C580
G581
C518
C519
A520
G521
C522
A523
G524
C525
C526
G527
C528
G529
G530
U531
A532
A533
U534
A535
C536
G537
G538
A539
G517
G457
U458
A459
A460
A461
G462
U463
U464
A465
A466
U467
A468
C469
C470
U471
U472
U473
G474
C475
U476
C477
A478
U479
U480
G481
A482
C483
G484
U485
U486
A487
C488
C489
C490
G491
C492
A493
G494
A495
A496
G497
A498
A499
G500
C501
A502
C503
C504
G505
G506
C507
U508
A509
A510
C511
U512
C513
C514
A451
A452
G453
G454
G455
A456
G446
G447
A448
A435
C436
U437
U438
U439
C440
A441
G442
C443
A411
A412
G413
A414
A415
G416
G417
C418
C419
U420
U421
C422
G423
G424
G425
U426
U427
G428
U429
A430
A431
A432
A393
G394
C395
C396
A397
U398
G399
C400
C401
G402
C403
G404
U405
G406
U407
A408
C379
G380
C381
A382
A383
G384
C385
C386
U387
G388
A389
U390
G391
C392
C334
C335
A336
G337
A338
C339
U340
C341
C342
U343
A344
C345
G346
G347
G348
A349
G350
G351
C352
A353
G354
C355
A356
G357
U358
G359
G360
G361
G362
A363
A364
U365
A366
U367
U368
G369
C370
A371
C372
A373
A374
U375
A329
C330
A298
G299
A300
G301
G302
A303
U304
G305
A306
C307
C308
A309
G310
C311
C312
A313
C314
A315
C316
U317
G318
G319
A320
A321
C322
U323
G324
A325
G326
A327
C328
U268
C269
A270
C271
C272
U273
A274
G275
G276
C277
G278
A279
C280
G281
A282
U283
C284
C285
C286
U287
A288
G289
C290
U291
G292
G293
U294
C295
A262
A263
C264
G265
G266
C267
C233
C234
C235
A236
G237
A238
U239
G240
G241
G242
A243
U244
U245
A246
G247
C248
U249
A250
G251
U252
A253
G254
G255
U256
G257
G258
G220
C221
C222
A223
U224
C225
G226
G227
A228
A205
C206
C207
U208
U209
C210
G211
G212
G213
C214
C215
U216
C217
G201
G202
C186
G187
C188
A189
A190
G191
A192
C193
C194
A195
A196
A197
G198
A199
G200
A167
G168
C169
U170
A171
A172
U173
A174
C175
C176
G177
C178
A179
U180
A181
A182
C183
G159
A160
A161
A162
C163
G164
G148
A149
U150
A151
A152
C153
U154
A155
C156
A143
G144
A139
U133
G134
C135
C136
A129
A130
A131
C132
U114
G115
A116
G117
U118
A119
A120
U121
G122
U123
C124
U125
G126
C106
G107
G108
A109
C110
G111
A71
A72
C73
A74
G75
G76
A77
A78
G79
A80
A81
G82
C83
U84
U85
G86
C87
U88
U89
C90
U91
U92
U93
G94
C95
U96
G97
A98
C99
G100
A101
C67
G68
C63
G64
A65
A66
A32
A33
C34
G35
C36
U37
G38
G39
C40
G41
G42
C43
A44
G45
G46
C47
C48
U49
A50
A51
C52
A53
C54
A55
U56
G57
C58
A59
A60
C23
U24
C25
A26
G27
A28
U29
U13
U14
G15
A16
U17
C18
A19
A
A
U
U5
G6
A7
A8
G9
A10
Page 20
wwPDB EM Map/Model Validation Report
4V74
C67
C68
C69
C70
G71
C72
A73
A74
C75
C76
A77
Chain BC:
• Molecule 25: 50S ribosomal protein L2
C66
C57
A58
A59
A60
U61
C62
C63
C35
A36
U37
A38
A39
C40
C41
C42
G43
A44
A45
G46
G47
U48
C49
G50
U51
C52
G53
G54
A14
G15
C16
C17
U18
G19
G20
U21
A22
G23
C24
U25
C26
G27
U28
C29
G30
G31
G32
G7
U8
G9
G10
A11
C1
G2
C3
A79
C80
U81
A82
U83
G84
G85
U86
U87
U88
U89
U90
A91
U92
U93
C65
A66
U67
C68
A69
C70
C71
C72
A73
C74
C75
A76
C56
G57
A58
U59
C60
C61
C62
G63
U64
A41
G42
G43
G44
G45
G46
U47
C48
G49
G50
C51
G52
A9
G10
C11
U12
C13
A14
G15
C16
U17
G18
G19
G20
A21
G22
A23
G24
C25
A26
C27
C28
U29
C30
C31
C32
U33
N34
A35
C36
N37
A38
G1
G2
G3
U4
G5
A6
C1524
G1525
G1526
U1527
U1528
G1529
G1530
A1531
U1532
C1533
A1534
A1499
A1500
C1501
A1502
A1503
G1504
G1505
U1506
A1507
A1508
C1509
C1510
G1511
U1512
A1513
G1514
G1515
G1516
G1517
A1518
A1519
C1520
U1490
G1491
A1492
A1493
G1494
U1495
C1496
G1487
G1473
U1474
G1475
A1476
U1477
U1478
C1479
A1480
U1481
G1482
A1483
C1484
A1465
C1466
C1467
A1468
C1469
G1459
C1460
G1461
C1462
A1441
G1442
C1443
U1444
U1445
A1446
A1447
C1448
C1449
U1450
U1451
C1452
G1453
G1454
G1455
A1456
U1424
U1425
G1426
C1427
A1428
A1429
A1430
A1431
G1432
A1433
A1434
G1435
U1436
A1437
G1438
G1421
A1418
C1388
C1389
U1390
U1391
G1392
U1393
A1394
C1395
A1396
C1397
A1398
C1399
C1400
G1401
C1402
C1403
C1404
G1405
U1406
C1407
A1408
C1409
A1410
C1411
C1412
A1413
U1414
G1415
A1357
U1358
C1359
A1360
G1361
A1362
A1363
U1364
G1365
C1366
C1367
A1368
C1369
G1370
G1371
U1372
G1373
A1374
A1375
U1376
A1377
C1378
G1379
U1380
U1381
C1382
C1383
C1384
G1385
G1356
A1349
A1350
U1351
C1352
C1336
G1337
G1338
A1339
A1340
U1341
C1342
G1343
C1344
U1345
A1346
C1317
A1318
A1319
C1320
U1321
C1322
G1323
A1324
C1325
U1326
C1327
C1328
A1329
U1330
G1331
A1332
A1333
A1311
G1312
U1313
C1314
C1293
G1294
U1295
C1296
G1297
U1298
A1299
G1300
U1301
C1302
C1303
G1304
G1305
A1306
U1307
U1308
A1289
A1229
C1230
G1231
U1232
G1233
C1234
U1235
A1236
C1237
A1238
A1239
U1240
G1241
G1242
C1243
G1244
C1245
A1246
U1247
A1248
C1249
A1250
A1251
A1252
G1253
A1254
G1255
A1256
A1257
G1258
C1259
G1260
A1261
C1262
C1263
U1264
C1265
G1266
C1267
G1268
A1269
G1270
A1271
G1272
C1273
A1274
A1275
G1276
C1277
G1278
G1279
A1280
C1281
C1282
U1283
C1284
A1285
U1286
A1287
A1288
C1200
A1201
U1202
C1203
A1204
U1205
G1206
G1207
C1208
C1209
C1210
U1211
U1212
A1213
C1214
G1215
A1216
C1217
C1218
A1219
G1220
G1221
G1222
C1223
U1224
A1225
C1226
A1227
C1228
G1187
A1188
U1189
G1190
A1191
C1192
G1193
U1194
C1195
A1196
A1197
A1176
G1177
G1178
A1179
A1180
G1181
G1182
U1183
G1164
U1165
G1166
A1167
U1168
A1169
A1170
A1171
C1172
A1155
G1156
A1157
C1158
U1159
G1160
C1161
C1162
A1163
C1103
G1104
A1105
G1106
C1107
G1108
C1109
A1110
A1111
C1112
C1113
C1114
U1115
U1116
A1117
U1118
C1119
C1120
U1121
U1122
U1123
G1124
U1125
U1126
G1127
C1128
C1129
A1130
G1131
C1132
G1133
G1134
U1135
C1136
C1137
G1138
G1139
C1140
C1141
G1142
G1143
G1144
A1145
A1146
C1147
U1148
C1149
A1150
A1151
A1152
Page 21
wwPDB EM Map/Model Validation Report
4V74
• Molecule 22: fMet-Val-tRNA-Val
Chain A1:
• Molecule 23: 5'-R(*AP*CP*UP*AP*UP*GP*GP*UP*UP*UP*UP*UP*AP*UP*U)-3'
Chain A2:
• Molecule 24: tRNA-fMet
Chain A3:
Chain BJ:
D141
R133
S134
M135
R126
Q110
R102
R64
G31
MET
A1
E149
R116
R97
A67
R68
R50
R51
R27
M1
• Molecule 30: 50S ribosomal protein L9
Chain BH:
• Molecule 31: 50S ribosomal protein L11
Chain BI:
• Molecule 32: 50S ribosomal protein L13
K176
R169
R162
Y163
A164
D165
E166
R152
R148
L116
R94
R68
D59
R54
R34
V22
V16
V8
V9
MET
S1
R2
• Molecule 29: 50S ribosomal protein L6
Chain BG:
R177
K178
R166
R147
V148
R149
I136
R132
R124
R114
G115
L116
R109
I110
R111
R94
R91
R79
Q80
R70
K46
R29
V12
MET
A1
R169
R179
D200
A209
R162
H165
A201
R141
R128
R124
A119
T112
R83
R77
V73
N58
R59
V60
R46
R33
R13
I14
F15
M1
I2
K154
Chain BE:
S125
• Molecule 27: 50S ribosomal protein L4
V120
R117
R114
V96
N97
R88
P89
Q90
R79
G71
R67
R61
R49
R44
A45
Q46
Y35
R21
M1
• Molecule 26: 50S ribosomal protein L3
Chain BD:
• Molecule 28: 50S ribosomal protein L5
Chain BF:
R237
H229
R220
R216
R211
R202
V194
G195
N196
A189
T190
L191
R181
R174
L175
R176
R155
V136
R132
I123
L109
R100
R101
R86
R79
R68
R62
T50
R51
H52
I53
R47
N36
R12
R261
R268
R269
R270
S271
?272
MET
A1
R257
Page 22
wwPDB EM Map/Model Validation Report
4V74
A117
R91
V87
R69
R63
R47
D48
R49
R50
Q51
R52
K53
R54
Q55
F56
R57
R32
R27
S28
R29
R10
A11
R12
MET
A1
R2
V3
K4
R112
L113
N114
R108
K105
R102
K95
L96
Y97
K86
R87
R71
R50
N51
R52
R38
V31
V32
MET
S1
F117
R111
R102
R94
D89
R81
A70
T53
R33
A23
T24
R25
R16
R13
R9
R10
MET
D2
?121
M110
R96
R90
R86
R69
T70
R71
A66
R63
R46
T37
R30
R22
R17
R8
M1
R2
H3
R4
R132
E144
M136
N93
T94
R78
R69
R60
M55
R47
R48
R41
K29
T30
G31
G32
R33
G34
H35
K36
R21
R18
MET
R2
L3
N4
V131
Chain BM:
R123
• Molecule 35: 50S ribosomal protein L16
K123
R114
Q97
R81
D70
R66
K58
R59
R55
R50
R51
K34
A35
V36
G37
R38
G39
R40
A21
K14
R6
M1
?123
A119
P120
R108
V103
T104
R105
R98
R78
R70
R64
R30
R31
Y32
I22
R17
M1
I2
I142
R116
R99
R95
I81
K72
R69
V48
R37
R34
R27
T24
R13
D14
E9
M1
Page 23
wwPDB EM Map/Model Validation Report
• Molecule 33: 50S ribosomal protein L14
Chain BK:
• Molecule 34: 50S ribosomal protein L15
Chain BL:
• Molecule 36: 50S ribosomal protein L17
Chain BN:
• Molecule 37: 50S ribosomal protein L18
Chain BO:
• Molecule 38: 50S ribosomal protein L19
Chain BP:
• Molecule 39: 50S ribosomal protein L20
Chain BQ:
4V74
Page 24
wwPDB EM Map/Model Validation Report
• Molecule 40: 50S ribosomal protein L21
A103
R90
R84
R78
R79
R80
V51
N43
T29
R21
R13
M1
Chain BR:
• Molecule 41: 50S ribosomal protein L22
R110
R99
R95
R92
R88
R84
H60
V29
R25
R18
R11
R8
M1
Chain BS:
• Molecule 42: 50S ribosomal protein L23
?94
R76
R77
R73
K66
V67
K68
T39
N28
H15
V16
L11
R12
R6
M1
I2
R3
Chain BT:
• Molecule 43: 50S ribosomal protein L24
?103
V92
R93
R85
R81
A50
K43
H44
Q45
R6
D7
D8
MET
A1
Chain BU:
• Molecule 44: 50S ribosomal protein L25
R93
A94
R79
R19
L20
R21
R9
M1
Chain BV:
• Molecule 45: 50S ribosomal protein L27
E84
K74
D63
R54
N49
R38
Q39
R40
K23
R24
R19
R13
D14
S15
T9
R10
?5
Chain BW:
• Molecule 46: 50S ribosomal protein L28
Y77
R71
A72
R73
R56
R49
R44
E40
R27
H19
N15
R10
V6
ACE
MET
S1
R2
Chain BX:
• Molecule 47: 50S ribosomal protein L29
4V74
Page 25
wwPDB EM Map/Model Validation Report
A63
R52
R48
R29
F26
R23
R7
M1
Chain BY:
• Molecule 48: 50S ribosomal protein L30
E58
R44
R37
R29
R30
R15
T9
R10
MET
A1
K2
T3
I4
Chain BZ:
• Molecule 49: 50S ribosomal protein L32
K56
Y48
R49
G50
R51
H37
L38
R39
R16
R9
MET
A1
Chain B0:
• Molecule 50: 50S ribosomal protein L33
?53
R43
R27
Y20
?2
Chain B1:
• Molecule 51: 50S ribosomal protein L34
K46
R39
R33
R34
R35
R28
R19
A20
R21
R12
N13
R14
M1
K2
R3
Chain B2:
• Molecule 52: 50S ribosomal protein L35
A64
D53
K35
A36
T37
K38
R39
H25
R12
R7
MET
P1
K2
I3
Chain B3:
• Molecule 53: 50S ribosomal protein L36
G38
R24
R19
I16
R12
R4
M1
Chain B4:
• Molecule 54: 23S ribosomal RNA
Chain BA:
4V74
U1083
A1084
A1085
A1086
G1087
A1088
A1089
A1090
A1067
G1068
A1069
A1070
G1071
C1072
A1073
G1074
C1075
C1076
A1077
U1078
C1079
A1080
C1043
C1044
C1045
A1046
G1047
A1048
C1049
A1050
G1051
C1052
C1053
A1054
G1055
G1056
A1057
U1058
G1059
U1060
U1061
G1062
G1063
C1064
A1039
A1040
G1026
A1027
A1028
A1029
C1030
G1031
A1032
U1033
G1034
U1035
G978
A979
A980
A981
C982
A983
A984
C985
C986
C987
A988
G989
A990
C991
C992
G993
C994
C995
A996
G997
C998
U999
A1000
A1001
G1002
G1003
U1004
C1005
C1006
C1007
A1008
A1009
A1010
G1011
U1012
C1013
A1014
U1015
G1016
G1017
U1018
U1019
A1020
A1021
G1022
U1023
G1024
G1025
C965
G966
U967
C968
G969
U970
G971
A972
A973
G974
A975
G954
U955
G956
C957
U958
A959
A960
C961
G962
U963
C964
C951
C903
G904
A905
U906
G907
C908
A909
A910
A911
C912
U913
G914
C915
G916
A917
A918
U919
A920
C921
C922
G923
G924
A925
G926
A927
A928
U929
G930
U931
U932
A933
U934
C935
A936
C937
G938
G939
G940
A941
G942
A943
C944
A945
C946
A947
C948
A896
C897
C898
A899
A900
C901
C902
G881
G882
G883
U884
C885
A886
U887
C888
C889
C890
G891
A892
C893
C873
G874
G875
C876
A877
A878
A844
A845
U846
U847
C848
A849
U850
C851
U852
C853
C854
G855
G856
G857
G858
G859
U860
A861
G862
A863
G864
C865
A866
C867
U868
G869
U870
U839
C840
G841
C838
U828
A829
G830
G831
U832
A833
G834
C835
G799
A800
G801
A802
U803
A804
G805
C806
U807
G808
G809
U810
U811
C812
U813
C814
C815
C816
C817
G818
A819
A820
A821
G822
C823
U824
A825
A715
A716
C717
A718
C719
U720
A721
A722
C723
U724
G725
G726
A727
U779
G780
A781
A782
A783
G784
G785
C786
C787
A788
A789
U790
C791
A792
A793
A794
C795
C796
U703
G704
A705
A706
G707
G770
G771
C772
U773
G774
A685
U686
C687
U688
A689
G690
C691
C692
A693
U694
G695
C698
A699
G700
G664
U665
A666
U667
A668
G669
A670
C671
C672
C673
G674
A675
A676
A677
C678
C679
C680
G681
C660
A661
C650
G651
U652
U653
A654
A655
G656
U657
U641
U642
A643
A644
C645
U646
G647
U747
G748
A749
A750
A751
A752
A753
U754
U755
A756
G757
C758
G759
G760
A761
U762
G763
A764
C765
U766
U767
A730
C731
C732
G733
A734
A735
C736
C737
G738
A739
C740
U741
A742
A743
U744
G708
U709
G775
G776
G620
A621
G622
C623
C624
G625
A626
A627
G628
G629
G630
A631
A632
A633
C634
C635
G636
A637
G638
U639
C640
A599
G600
C601
A602
A603
G604
G605
U606
U607
A608
A609
C610
C611
G612
A613
A614
U615
A616
G617
G579
U580
C581
A582
G583
C584
G585
A586
C587
U588
U589
A590
U591
A592
U593
U594
C595
U596
G537
A538
G539
C540
A541
C542
G543
C544
U545
U546
A547
G548
G549
C550
G551
U552
G553
U554
G555
A556
C557
U558
G559
C560
G561
U562
A563
C564
C565
U566
U567
U568
U569
G570
U571
A572
U573
A574
A575
U576
G577
G578
U521
A522
C523
G524
U525
A526
C527
A528
A529
G530
C531
A532
G533
C516
C517
G518
A513
A514
A515
G500
A501
A502
A503
A504
A505
G506
A507
A508
C509
C510
C490
G491
A492
G493
G494
G495
G496
A497
A470
A471
A472
G473
G474
C475
G476
A477
A478
A479
A480
G481
A482
A483
C484
C485
C486
C487
A466
G450
U451
G452
A453
A454
C455
C456
A457
G458
U459
A460
C461
C462
G463
A439
C440
U441
G442
A443
C444
C445
G446
A447
U448
A449
C426
U427
A428
A429
A430
U431
A432
C433
U434
C435
C436
C398
U399
G400
A401
A402
U403
A404
U405
G406
G407
G408
G409
G410
G411
A412
C413
C414
A415
U416
C417
C418
U419
C420
C421
A422
A423
U387
G388
G389
U390
A391
U392
C393
C394
U395
U328
G329
A330
C331
A332
G333
C334
C335
C336
C337
G338
U339
A340
C341
A342
C343
A344
A345
A346
A347
A348
U349
G350
C351
A352
C353
A354
U355
G356
C357
U358
G359
U360
G361
A362
G363
C364
U365
C366
G367
A368
U369
G370
A371
G372
U373
A374
G375
G376
G377
C378
G379
G380
G381
A382
C383
A384
C385
G386
A294
G295
U296
G297
G298
A299
A300
G301
C302
G303
U304
C305
U306
G307
G308
A309
A310
A311
G312
G313
C314
G315
C316
G317
C318
G319
A320
U321
A322
C323
A324
G325
U288
G289
U290
G291
C264
A265
G266
C267
C268
C269
A270
G271
A272
G273
C274
C275
U276
G277
A278
A279
U280
C281
A282
G283
U284
G285
A262
G263
C236
C237
C238
C239
C240
A241
G242
U243
A244
G245
C246
G247
G248
C249
G250
A251
G252
C253
G254
A255
A256
C257
U200
C201
U202
A203
A204
G205
U206
A207
C208
C209
C210
C211
G212
A213
G214
G215
A216
A217
A218
A219
G220
A221
A222
A223
U224
C225
A226
A227
C228
C229
G230
A231
G232
A233
A89
U90
A91
U92
G93
A94
A95
C96
C97
G98
U99
U100
A101
U102
A103
A104
C105
C106
G107
G108
C109
G110
A111
A155
A156
C157
U158
G159
A160
A161
U162
C163
C164
A165
U166
A167
G168
G188
G189
A190
A191
C192
U193
G194
A195
A196
A197
C198
A199
A172
A173
U174
G175
A176
G177
G178
C179
G180
A181
A182
C183
C184
U139
C140
G141
A142
C143
A144
C145
A146
C147
U148
A149
U150
C151
A152
U114
C115
C116
G117
A118
A119
U120
G121
G122
G123
G124
A125
A126
A127
C128
C129
C130
U67
G68
C69
G70
A71
U72
A73
A74
G75
C76
G77
U78
C79
G80
G81
U82
A83
A84
G136
A131
A56
C57
G58
U59
G60
C61
U62
A63
A64
U65
C66
A28
U29
G30
C31
C32
C33
U34
G35
G36
C37
A38
G39
U40
C41
A42
G43
A44
G45
G46
C47
G48
A49
U50
G51
A52
A53
A19
C20
A21
C22
G1
G2
U3
U4
A5
A6
G7
C8
G9
A10
C11
U12
A13
A14
G15
C16
Page 26
wwPDB EM Map/Model Validation Report
4V74
U2111
G2112
A2108
A2051
A2052
G2053
A2054
C2055
G2056
G2057
A2058
A2059
A2060
G2061
A2062
C2063
C2064
C2065
C2066
G2067
U2068
G2069
A2070
A2071
C2072
C2073
U2074
U2075
U2076
A2077
C2078
U2079
A2080
U2081
A2082
G2083
C2084
U2085
U2086
G2087
A2088
C2089
A2090
C2091
U2092
G2093
A2094
A2095
C2096
A2097
U2098
U2099
G2100
A2101
G2102
C2103
C2104
U2105
C2050
A2030
A2031
G2032
A2033
U2034
G2035
C2036
A2037
G2038
U2039
G2040
U2041
A2042
C2043
C2044
C2045
G2046
C2047
A2013
A2014
A2015
U2016
U2017
G2018
A2019
A2020
C2021
U2022
C2023
G2024
C2025
C1990
U1991
G1992
U1993
C1994
U1995
C1996
C1997
A1998
C1999
C2000
C2001
G2002
A2003
G2004
A2005
C2006
U2007
C2008
A2009
G1984
C1985
C1986
A1987
A1981
U1982
G1983
U1923
C1924
C1925
U1926
A1927
A1928
G1929
G1930
U1931
A1932
G1933
C1934
G1935
A1936
A1937
A1938
U1939
U1940
C1941
C1942
U1943
U1944
G1945
U1946
C1947
G1948
G1949
G1950
U1951
A1952
A1953
G1954
U1955
U1956
C1957
C1958
G1959
A1960
C1961
C1962
U1963
G1964
C1965
A1966
C1967
G1968
A1969
A1970
U1971
G1972
G1973
C1974
G1975
U1976
A1977
A1978
C1905
G1906
G1907
C1908
C1909
G1910
U1911
A1912
A1913
C1914
U1915
A1916
U1917
A1918
A1919
C1920
G1921
G1922
G1884
A1885
U1886
C1887
G1888
A1889
A1890
G1891
C1892
C1893
C1894
C1895
G1896
G1897
U1898
A1899
A1900
A1901
C1902
G1861
G1862
G1863
U1864
U1865
A1866
G1867
C1868
G1869
C1870
A1871
A1872
G1873
C1874
G1875
A1876
A1877
G1878
C1879
U1880
C1881
U1852
A1853
A1854
U1855
U1856
G1857
A1858
A1847
A1848
G1797
U1798
G1799
C1800
A1801
A1802
A1803
C1804
A1805
C1806
G1807
A1808
A1809
A1810
G1811
U1812
G1813
G1814
A1815
C1816
G1817
U1818
A1819
U1820
A1821
C1822
G1823
G1824
U1825
G1826
U1827
G1828
A1829
C1830
G1831
C1832
C1833
U1834
G1835
C1836
C1837
C1838
G1839
G1840
U1841
G1842
C1843
C1844
A1780
U1781
U1782
A1783
A1784
A1785
A1786
A1787
C1788
A1789
C1790
A1791
G1792
C1793
A1794
C1795
U1796
C1752
G1753
A1754
A1755
G1756
A1757
U1758
A1759
C1760
C1761
A1762
G1763
C1764
U1765
G1766
G1767
C1768
U1769
G1770
C1771
A1772
A1773
C1774
U1775
G1733
G1734
A1735
U1736
G1737
G1738
A1739
G1740
C1741
U1742
G1743
A1744
A1745
A1746
U1747
C1748
A1749
A1711
U1712
A1713
U1714
G1715
U1716
A1717
G1718
G1719
U1720
G1721
A1722
G1723
G1724
U1725
C1726
C1727
C1728
U1729
C1730
G1731
C1732
A1689
A1690
C1691
U1692
U1693
C1694
G1695
G1696
G1697
A1698
G1699
A1700
A1701
G1702
G1703
C1704
A1705
C1706
G1707
C1708
U1671
A1672
G1673
G1674
C1675
A1676
A1677
A1678
A1679
U1680
G1681
G1682
U1683
G1684
C1685
C1686
A1664
A1665
G1666
G1667
A1668
A1669
C1670
A1608
A1609
A1610
C1611
C1612
G1613
A1614
C1615
A1616
C1617
A1618
G1619
G1620
U1621
G1622
G1623
U1624
C1625
A1626
G1627
G1628
U1629
A1630
G1631
A1632
G1633
A1634
A1635
U1636
A1637
C1638
C1639
A1640
A1641
G1642
G1643
C1644
G1645
C1646
U1647
U1648
G1649
A1650
G1651
A1652
G1653
A1654
A1655
C1656
U1657
C1658
G1659
A1590
A1591
C1592
A1593
U1594
C1595
A1596
A1597
A1598
U1599
C1600
G1601
U1602
A1603
C1604
C1605
C1606
C1607
G1546
C1547
A1548
A1549
C1550
A1551
A1552
A1553
U1554
G1555
C1556
C1557
C1558
U1559
G1560
C1561
U1562
U1563
C1564
C1565
A1566
G1567
G1568
A1569
A1570
A1571
A1572
G1573
C1574
C1575
U1576
C1577
U1578
A1579
A1580
G1581
C1582
A1583
U1584
C1585
A1586
C1531
A1532
C1533
U1534
A1535
C1536
G1537
G1538
U1539
G1540
C1541
U1542
G1543
A1544
A1545
C1518
G1519
U1520
G1521
A1522
U1523
G1524
A1525
C1526
G1527
A1528
U1487
C1488
C1489
A1490
G1491
G1492
C1493
A1494
A1495
A1496
U1497
C1498
C1499
G1500
G1501
A1502
A1503
A1504
A1505
U1506
C1507
A1508
A1509
G1510
G1511
C1512
U1513
G1514
A1515
G1483
U1484
A1469
A1470
G1471
C1472
G1473
U1474
G1475
U1476
A1477
G1478
G1479
C1480
U1481
G1482
U1460
C1461
C1462
C1463
G1464
G1465
C1451
G1452
A1453
C1454
G1455
G1456
U1457
G1445
C1446
C1447
G1425
G1426
A1427
C1428
G1429
G1430
A1431
G1432
A1433
A1434
G1435
G1436
C1437
U1438
A1439
U1440
G1441
U1442
U1415
G1416
C1417
G1418
A1419
A1420
G1421
G1407
G1408
U1409
G1410
U1411
U1412
A1413
C1414
A1403
C1404
G1382
A1383
A1384
A1385
C1386
A1387
G1388
G1389
U1390
U1391
A1392
A1393
U1394
A1395
U1396
U1397
C1398
C1399
C1376
G1377
A1378
U1379
C1370
G1371
U1372
A1373
C1349
C1350
C1351
U1352
A1353
A1354
G1355
G1356
C1357
G1358
A1359
G1360
G1361
C1362
C1363
G1364
A1365
A1366
A1367
C1345
G1346
A1347
C1348
U1312
U1313
C1314
C1315
U1316
G1317
U1318
C1319
C1320
A1321
A1322
C1323
G1324
U1325
U1326
A1327
A1328
U1329
C1330
G1331
G1332
G1333
G1334
C1335
A1336
G1337
G1338
G1339
U1340
G1341
A1342
A1286
A1287
G1288
C1289
C1290
C1291
G1292
C1293
U1294
C1295
G1296
C1297
C1298
G1299
G1300
A1301
A1302
G1303
A1304
C1305
C1306
A1307
A1308
G1281
U1282
G1283
A1284
A1285
C1251
G1252
A1253
A1254
U1255
G1256
C1257
U1258
G1259
A1260
C1261
A1262
U1263
A1264
A1265
G1266
U1267
A1268
A1269
C1270
G1271
A1272
U1273
A1274
A1275
A1276
G1277
C1278
G1236
A1237
G1238
G1239
U1240
A1241
U1242
C1243
A1244
G1245
A1246
A1247
A1226
G1227
G1228
C1229
A1230
U1231
G1232
C1233
C1221
U1222
G1223
U1217
G1218
U1219
G1220
U1183
U1184
G1185
G1186
G1187
U1188
A1189
G1190
G1191
G1192
G1193
A1194
G1195
C1196
G1197
U1198
U1199
C1200
U1201
G1202
U1203
A1204
A1205
G1206
C1207
C1208
U1209
G1210
C1211
G1212
A1213
A1214
C1161
G1162
G1163
C1164
A1165
G1166
C1167
G1168
A1169
C1170
G1171
C1172
U1173
U1174
A1175
U1176
G1177
C1178
G1179
G1157
C1158
G1139
C1140
U1141
A1142
A1143
A1144
C1145
C1146
A1147
U1148
G1149
C1150
A1151
C1152
C1153
G1154
A1155
A1156
U1132
A1133
A1134
C1135
A1126
A1127
G1128
A1129
U1108
C1109
G1110
A1111
G1112
U1113
C1114
G1115
G1116
C1117
C1118
U1119
G1120
C1121
G1122
C1123
G1091
C1092
G1093
U1094
A1095
A1096
U1097
A1098
G1099
C1100
U1101
C1102
A1103
C1104
Page 27
wwPDB EM Map/Model Validation Report
4V74
C118
A
C113
C114
A115
A108
A109
C110
A104
G105
C97
G98
A99
G100
A101
G67
C68
G69
C70
C71
G72
A73
U74
G75
G76
U77
A78
G79
U80
G81
U82
G83
G84
G85
G86
U87
C88
U89
C90
C91
C92
C93
A94
A34
C35
C36
C37
C38
A39
U40
G41
C42
C43
G44
A45
A46
C47
U48
C49
A50
G51
A52
A53
G54
U55
G56
A57
A58
A59
C60
G61
C62
C63
G64
U65
A66
G23
G24
U25
C26
C27
C28
A29
C30
C31
C8
G9
G10
C11
C12
G13
U14
A15
G16
C17
G18
C19
G2
C3
C4
G2892
A2893
G2894
G2895
C2896
U2897
U2898
A2899
A2900
C2901
C2902
U2903
C2889
A2879
C2880
U2881
A2882
A2883
U2884
G2885
A2886
A2887
C2888
A2868
G2869
C2870
U2871
A2872
A2873
C2874
C2875
G2876
A2850
A2851
G2852
C2853
G2854
C2855
A2856
G2857
C2858
G2859
A2860
U2861
G2862
C2863
G2864
U2845
G2846
U2847
A2835
U2836
A2837
G2838
G2839
C2840
C2841
G2822
A2823
C2824
G2825
A2826
C2827
G2828
A2829
C2830
G2831
U2832
C2805
C2806
U2807
G2808
A2809
A2810
G2811
G2812
A2813
A2814
C2815
G2816
U2817
U2818
G2819
A2820
A2821
A2761
C2762
G2763
A2764
A2765
A2766
C2767
U2768
U2769
G2770
C2771
C2772
C2773
C2774
G2775
A2776
G2777
A2778
U2779
G2780
A2781
G2782
U2783
U2784
C2785
U2786
C2787
C2788
C2789
U2790
G2791
A2792
C2793
C2794
C2795
U2796
U2797
U2798
A2799
A2800
G2801
G2802
C2745
U2746
G2747
A2748
A2749
A2750
G2751
C2752
A2753
U2754
C2755
U2756
A2757
A2758
G2759
C2760
G2709
C2710
A2711
C2712
U2713
G2714
C2715
C2716
C2717
G2718
G2719
U2720
A2721
G2722
C2723
U2724
A2725
A2726
A2727
U2728
G2729
C2730
G2731
G2732
A2733
A2734
G2735
A2736
G2737
A2738
U2739
A2740
A2741
G2742
C2703
C2704
A2705
A2706
U2698
C2699
A2700
U2695
U2696
G2697
A2675
C2676
G2677
C2678
A2679
U2680
C2681
A2682
C2683
U2684
G2685
G2686
U2687
G2688
U2689
U2690
C2691
A2665
C2666
C2667
G2668
G2669
A2670
G2643
G2644
G2645
C2646
U2647
G2648
C2649
U2650
C2651
C2652
U2653
A2654
G2655
U2656
A2657
C2658
G2659
A2660
G2661
A2662
G2630
G2631
A2632
G2633
A2634
A2635
C2636
U2637
G2638
A2639
C2606
G2607
G2608
U2609
C2610
C2611
C2612
U2613
A2614
U2615
C2616
U2617
G2618
C2619
C2620
G2621
U2622
G2623
G2624
G2625
C2626
G2627
C2628
U2629
U2585
U2586
A2587
G2588
A2589
A2590
C2591
G2592
U2593
C2594
G2595
U2596
G2597
A2598
G2599
A2600
C2601
A2602
G2603
U2568
G2569
G2570
U2571
A2572
C2573
G2574
C2575
G2576
A2577
G2578
C2579
U2580
G2581
G2582
C2556
G2557
C2558
C2559
A2560
U2561
U2562
U2563
A2564
A2565
A2566
G2567
U2546
A2547
U2548
G2549
G2550
C2551
U2552
G2525
G2526
C2527
U2528
G2529
A2530
A2531
G2532
U2533
A2534
G2535
G2536
U2537
C2538
C2539
C2540
A2541
A2542
C2510
U2511
C2512
A2513
U2514
C2515
A2516
C2517
A2518
U2519
C2520
C2521
U2522
G2502
A2503
U2504
G2505
U2506
C2507
G2495
C2496
A2497
C2498
C2499
U2500
C2501
U2491
U2492
C2486
C2456
U2457
G2458
A2459
U2460
A2461
C2462
C2463
G2464
C2465
C2466
C2467
A2468
A2469
G2470
A2471
G2472
U2473
U2474
C2475
A2476
U2477
A2478
U2479
C2480
G2481
A2482
C2483
A2439
C2440
U2441
C2442
C2443
G2444
G2445
G2446
G2447
A2448
U2449
A2450
A2451
C2452
A2453
A2434
A2435
C2416
C2417
A2418
U2419
C2420
G2421
C2422
U2423
C2424
A2425
A2426
C2427
G2428
G2429
A2430
U2431
A2432
A2433
A2411
A2412
U2402
C2403
U2404
G2405
A2406
A2407
U2408
U2398
C2368
A2369
G2370
G2371
U2372
G2373
C2374
G2375
A2376
A2377
A2378
G2379
C2380
A2381
G2382
G2383
U2384
C2385
A2386
U2387
A2388
G2389
U2390
G2391
A2392
U2393
C2394
C2395
C2350
G2351
A2352
G2353
C2354
G2355
U2356
G2357
A2358
C2359
G2360
G2361
C2362
G2363
C2364
G2365
A2366
G2367
A2317
G2318
G2319
U2320
U2321
A2322
G2323
U2324
G2325
C2326
A2327
A2328
U2329
G2330
G2331
C2332
A2333
U2334
A2335
A2336
G2337
C2338
C2339
A2340
G2341
C2342
U2343
U2344
G2345
A2346
C2347
C2306
G2307
G2308
A2309
C2310
A2311
U2312
C2313
A2314
U2305
C2295
U2296
A2297
A2298
U2299
C2300
C2301
U2302
C2258
U2259
C2260
C2261
U2262
C2263
C2264
U2265
A2266
A2267
A2268
G2269
A2270
G2271
U2272
A2273
A2274
C2275
G2276
G2277
A2278
G2279
G2280
A2281
G2282
C2283
A2284
C2285
G2286
A2287
A2288
G2289
G2290
U2291
G2242
U2243
U2244
U2245
G2246
A2247
C2248
U2249
G2250
G2251
G2252
G2253
C2254
G2255
C2232
U2233
G2234
G2235
U2236
G2237
G2238
G2239
U2240
A2241
U2219
U2220
G2221
C2222
G2223
G2224
A2225
C2226
A2227
U2194
U2195
C2196
U2197
A2198
A2199
C2200
G2201
U2202
U2203
G2204
A2205
C2206
C2207
C2208
G2209
U2210
A2211
A2212
U2213
C2214
C2215
G2216
C2177
C2178
C2179
U2180
U2181
U2182
A2183
A2184
U2185
G2186
U2187
U2188
U2189
G2190
A2191
A2142
C2143
G2144
C2145
C2146
A2147
G2148
U2149
C2150
U2151
G2152
C2153
A2154
U2155
G2156
G2157
A2158
G2159
C2160
C2161
G2162
A2163
C2164
C2165
U2166
U2167
G2168
A2169
A2170
A2171
U2172
A2173
C2174
C2175
A2176
C2129
U2130
U2131
U2132
G2133
A2134
A2135
G2136
U2137
G2138
U2139
A2126
U2113
A2114
G2115
G2116
A2117
U2118
A2119
G2120
G2121
U2122
Page 28
wwPDB EM Map/Model Validation Report
4V74
• Molecule 55: 5S ribosomal RNA
Chain BB:
Page 29
wwPDB EM Map/Model Validation Report
• Molecule 56: 50S ribosomal protein L1
V224
ASP
GLN
ALA
GLY
LEU
SER
ALA
SER
VAL
ASN
R162
Y163
R164
N165
R134
Q129
Q126
R122
R74
R71
R60
I50
R12
R7
M8
R9
MET
A2
Chain B5:
4V74
Page 30
4
wwPDB EM Map/Model Validation Report
Experimental information
Property
Reconstruction method
Imposed symmetry
Number of images
Resolution determination method
CTF correction method
Microscope
Voltage (kV)
2
Electron dose (e− /Å )
Minimum defocus (nm)
Maximum defocus (nm)
Magnication
Image detector
Value
4V74
O
i
SINGLE PARTICLE
POINT, Not provided
3052
FSC at 0.5 cut-o
local
FEI/PHILIPS CM200FEG
160
20
500
2000
161000
4k CCD camera (TVIPS)
Source
Depositor
Depositor
Depositor
Depositor
Depositor
Depositor
Depositor
Depositor
Depositor
Depositor
Depositor
Depositor
Page 31
5
wwPDB EM Map/Model Validation Report
Model quality
5.1
O
4V74
i
Standard geometry
O
i
Bond lengths and bond angles in the following residue types are not validated in this section: 5MU,
OMC, FME, ACE, H2U, CM0, 6MZ, NH2, 4SU, 7MG, PSU
The Z score for a bond length (or angle) is the number of standard deviations the observed value
is removed from the expected value. A bond length (or angle) with |Z| > 5 is considered an
outlier worth inspection. RMSZ is the root-mean-square of all Z scores of the bond lengths (or
angles).
Mol Chain
1
10
11
12
13
14
15
16
17
18
19
2
20
21
22
23
24
25
26
27
28
29
3
30
31
32
33
34
35
36
37
38
AB
AK
AL
AM
AN
AO
AP
AQ
AR
AS
AT
AC
AU
AA
A1
A2
A3
BC
BD
BE
BF
BG
AD
BH
BI
BJ
BK
BL
BM
BN
BO
BP
Bond lengths
RMSZ
0.70
0.74
0.76
0.75
0.77
0.74
0.76
0.70
0.81
0.76
0.68
0.72
0.83
1.53
1.53
1.47
1.53
0.74
0.68
0.67
0.74
0.69
0.77
0.65
0.65
0.73
0.70
0.73
0.74
0.77
0.72
0.75
#|Z| >2
0/1736
0/894
0/969
0/884
0/817
0/722
0/648
0/658
0/463
0/653
0/672
0/1651
0/431
1/36759 (0.0%)
0/1668
0/343
0/1722
0/2121
0/1586
0/1571
0/1444
0/1343
0/1665
0/1122
0/1046
0/1152
0/947
0/1054
0/1093
0/973
0/902
0/929
RMSZ
1.07
1.15
1.23
1.32
1.26
1.16
1.27
1.06
1.29
1.13
1.05
1.16
1.44
2.22
2.20
2.25
2.18
1.30
1.20
1.15
1.18
1.12
1.23
1.10
1.06
1.16
1.21
1.36
1.21
1.36
1.25
1.27
Bond angles
#|Z| >2
11/2340 (0.5%)
10/1207 (0.8%)
15/1300 (1.2%)
11/1181 (0.9%)
12/1088 (1.1%)
8/964 (0.8%)
11/870 (1.3%)
4/883 (0.5%)
10/623 (1.6%)
7/879 (0.8%)
5/890 (0.6%)
16/2225 (0.7%)
8/572 (1.4%)
1991/57346 (3.5%)
85/2595 (3.3%)
15/531 (2.8%)
81/2685 (3.0%)
26/2852 (0.9%)
14/2134 (0.7%)
11/2113 (0.5%)
14/1937 (0.7%)
8/1816 (0.4%)
24/2227 (1.1%)
6/1515 (0.4%)
4/1410 (0.3%)
8/1551 (0.5%)
10/1268 (0.8%)
17/1403 (1.2%)
11/1460 (0.8%)
15/1301 (1.2%)
11/1209 (0.9%)
8/1242 (0.6%)
Page 32
wwPDB EM Map/Model Validation Report
Mol Chain
39
4
40
41
42
43
44
45
46
47
48
49
5
50
51
52
53
54
55
56
6
7
8
9
All
BQ
AE
BR
BS
BT
BU
BV
BW
BX
BY
BZ
B0
AF
B1
B2
B3
B4
BA
BB
B5
AG
AH
AI
AJ
All
Bond lengths
4V74
Bond angles
RMSZ
#|Z| >2
RMSZ
#|Z| >2
0.80
0/960
1.32
15/1278 (1.2%)
0.70
0/1119
1.06
10/1506 (0.7%)
0.70
0/829
1.22
7/1107 (0.6%)
0.64
0/864
1.19
10/1156 (0.9%)
0.65
0/744
1.19
7/994 (0.7%)
0.68
0/787
1.10
4/1051 (0.4%)
0.71
0/766
1.16
5/1025 (0.5%)
0.77
0/604
1.36
9/799 (1.1%)
0.75
0/635
1.28
10/848 (1.2%)
0.65
0/510
1.17
5/677 (0.7%)
0.69
0/453
1.24
6/605 (1.0%)
0.72
0/450
1.23
5/599 (0.8%)
0.74
0/835
1.17
6/1128 (0.5%)
0.73
0/417
1.05
2/556 (0.4%)
0.81
0/380
1.49
11/498 (2.2%)
0.72
0/513
1.23
5/676 (0.7%)
0.68
0/303
1.24
4/397 (1.0%)
1.41
2/69796 (0.0%)
2.21 4018/108888 (3.7%)
1.42
0/2800
2.17
151/4367 (3.5%)
0.64
0/1673
1.08
9/2255 (0.4%)
0.74
0/1188
1.21
19/1593 (1.2%)
0.70
0/989
1.08
5/1326 (0.4%)
0.81
0/1035
1.34
20/1377 (1.5%)
0.69
0/797
1.23
13/1079 (1.2%)
1.28 3/160085 (0.0%) 2.00 6843/239402 (2.9%)
Chiral center outliers are detected by calculating the chiral volume of a chiral center and verifying
if the center is modelled as a planar moiety or with the opposite hand. A planarity outlier is
detected by checking planarity of atoms in a peptide group, atoms in a mainchain group or atoms
of a sidechain that are expected to be planar.
Mol Chain #Chirality outliers #Planarity outliers
1
14
21
22
23
24
4
43
49
54
AB
AO
AA
A1
A2
A3
AE
BU
B0
BA
0
0
0
0
0
0
0
0
0
0
1
2
368
21
4
16
1
1
1
707
Continued on next page...
Page 33
wwPDB EM Map/Model Validation Report
4V74
Continued from previous page...
Mol Chain #Chirality outliers #Planarity outliers
55
All
BB
All
0
0
25
1147
All (3) bond length outliers are listed below:
Mol Chain Res Type Atoms Z Observed(Å) Ideal(Å)
21
54
54
AA
BA
BA
6
1568
2627
G
G
G
C2-N2
C2-N2
C2-N2
-5.63
-5.08
-5.01
All (6843) bond angle outliers are listed below:
Mol Chain Res Type
54
54
21
54
54
21
54
54
54
54
54
54
21
54
54
54
54
5
21
54
21
54
54
54
21
21
21
54
54
BA
BA
AA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
AF
AA
BA
AA
BA
BA
BA
AA
AA
AA
BA
BA
1301
2126
547
323
2199
1362
1069
2810
614
1981
933
1591
190
382
1205
2134
1523
91
1251
1010
172
2572
99
1427
466
746
228
1698
1301
A
A
A
C
A
A
A
A
A
A
A
A
A
A
A
A
U
ARG
A
A
A
A
U
A
A
A
A
A
A
Atoms
O4'-C1'-N9
O4'-C1'-N9
N1-C6-N6
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C1'-O4'-C4'
1.28
1.29
1.29
Z
17.59
13.48
-12.92
12.84
-12.76
-12.39
-12.35
-12.29
-11.99
-11.97
-11.94
-11.92
-11.78
-11.78
-11.77
-11.75
11.61
11.58
-11.57
-11.54
-11.51
-11.49
11.44
-11.42
-11.42
-11.41
-11.39
-11.38
-11.36
1.34
1.34
1.34
Observed( ) Ideal( )
o
122.27
118.98
110.85
118.47
110.94
111.16
111.19
111.23
111.40
111.42
111.44
111.45
111.53
111.53
111.54
111.55
117.49
126.09
111.66
111.67
111.69
111.70
117.35
111.75
111.75
111.75
111.77
111.77
100.81
o
108.20
108.20
118.60
108.20
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
108.20
120.30
118.60
118.60
118.60
118.60
108.20
118.60
118.60
118.60
118.60
118.60
109.90
Continued on next page...
Page 34
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
55
54
54
54
55
54
54
54
21
21
21
54
54
7
54
54
21
54
54
54
54
21
54
54
54
54
54
54
21
54
21
21
52
54
54
54
54
21
54
54
AA
BA
BB
BA
BA
BA
BB
BA
BA
BA
AA
AA
AA
BA
BA
AH
BA
BA
AA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AA
BA
AA
AA
B3
BA
BA
BA
BA
AA
BA
BA
432
1940
94
2267
800
53
78
2851
197
2097
1480
53
1503
1241
1580
87
2705
575
389
2726
1808
125
152
630
1746
626
181
2376
2358
1784
1329
2750
1014
1518
39
764
1317
1000
432
937
1095
324
A
U
A
A
A
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
ARG
A
G
A
A
A
A
A
Atoms
N1-C6-N6
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH2
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH2
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
Z
-11.36
11.32
-11.25
-11.25
-11.24
-11.23
-11.23
-11.22
-11.20
-11.20
-11.18
-11.18
-11.17
-11.17
-11.14
11.13
-11.12
-11.09
-11.07
-11.02
-10.99
-10.97
-10.96
-10.95
-10.93
-10.93
-10.88
-10.87
-10.86
-10.86
-10.85
-10.84
-10.83
-10.82
10.82
-10.81
10.81
-10.80
-10.79
-10.78
-10.75
-10.72
4V74
Observed( ) Ideal( )
o
111.79
117.25
111.85
111.85
111.85
111.86
111.86
111.87
111.88
111.88
111.89
111.89
111.90
111.90
111.92
125.87
111.93
111.95
111.96
111.99
112.01
112.02
112.02
112.03
112.04
112.04
112.07
112.08
112.08
112.09
112.09
112.10
112.10
112.11
125.71
112.11
116.85
112.12
112.13
112.13
112.15
112.17
o
118.60
108.20
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
108.20
118.60
118.60
118.60
118.60
118.60
Continued on next page...
Page 35
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
54
21
54
40
54
54
21
54
54
54
44
54
54
54
21
21
54
54
54
12
54
54
54
21
54
54
54
54
21
21
21
54
54
54
54
54
54
54
54
BA
AA
AA
BA
AA
BA
BR
BA
BA
AA
BA
BA
BA
BV
BA
BA
BA
AA
AA
BA
BA
BA
AM
BA
BA
BA
AA
BA
BA
BA
BA
AA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
2814
749
665
2614
520
1352
84
2099
609
1289
1033
2320
928
9
2130
1713
1858
729
784
1365
1553
2711
106
716
936
101
1201
1327
1021
2748
1919
819
120
1434
1434
1597
1937
2070
1301
2434
761
1635
A
A
A
A
A
U
ARG
U
A
A
U
U
A
ARG
U
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
Atoms
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
NE-CZ-NH1
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
O4'-C1'-N1
N1-C6-N6
NE-CZ-NH1
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
Z
-10.72
-10.69
-10.68
-10.66
-10.66
10.64
10.63
10.63
-10.61
-10.59
10.59
10.59
-10.59
10.58
10.58
-10.58
-10.58
-10.57
-10.56
-10.55
-10.54
-10.53
10.51
-10.50
-10.49
-10.49
-10.47
-10.47
-10.46
-10.46
-10.46
-10.43
-10.42
-10.41
-10.41
-10.41
-10.40
-10.40
-10.40
-10.36
-10.35
-10.34
4V74
Observed( ) Ideal( )
o
112.17
112.19
112.19
112.20
112.21
116.71
125.62
116.71
112.23
112.25
116.67
116.67
112.25
125.59
116.67
112.25
112.25
112.26
112.27
112.27
112.28
112.28
125.56
112.30
112.30
112.31
112.32
112.32
112.32
112.32
112.33
112.34
112.34
112.36
112.36
112.36
112.36
112.36
112.36
112.38
112.39
112.40
o
118.60
118.60
118.60
118.60
118.60
108.20
120.30
108.20
118.60
118.60
108.20
108.20
118.60
120.30
108.20
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
Continued on next page...
Page 36
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
54
21
54
31
21
54
54
21
54
21
21
54
54
54
54
54
21
54
38
21
21
8
54
21
21
21
54
21
55
14
54
21
21
21
21
54
54
54
54
54
BA
AA
BA
AA
BA
BI
AA
BA
BA
AA
BA
AA
AA
BA
BA
BA
BA
BA
AA
BA
BP
AA
AA
AI
BA
AA
AA
AA
BA
AA
BB
AO
BA
AA
AA
AA
AA
BA
BA
BA
BA
BA
943
151
1494
978
1439
102
780
1509
1302
873
2809
353
415
782
821
2287
643
2751
51
1630
52
412
1082
79
2577
1431
414
1363
2534
1248
109
71
1755
263
1336
338
1046
2297
2346
1815
2887
483
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
G
A
A
ARG
A
A
ARG
A
A
A
A
A
A
A
ARG
A
A
C
A
A
A
A
A
A
A
Atoms
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N3-C2-O2
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
Z
-10.34
-10.33
-10.31
-10.29
-10.30
10.29
-10.29
-10.28
-10.28
-10.28
-10.28
-10.27
-10.27
-10.26
-10.26
-10.25
-10.25
10.25
-10.24
-10.23
10.22
-10.22
-10.21
10.21
-10.18
-10.17
-10.17
-10.16
-10.16
-10.16
-10.16
10.15
-10.15
-10.15
-10.15
-10.15
-10.15
-10.14
-10.14
-10.13
-10.13
-10.13
4V74
Observed( ) Ideal( )
o
112.40
112.40
112.41
112.42
112.42
125.44
112.43
112.43
112.43
112.43
112.43
112.44
112.44
112.44
112.45
112.45
112.45
116.40
112.45
112.46
125.41
112.47
112.47
125.40
112.49
112.50
112.50
112.50
112.50
112.50
112.51
125.38
112.51
112.51
114.79
112.51
112.51
112.52
112.52
112.52
112.52
112.52
o
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
108.20
118.60
118.60
120.30
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
121.90
118.60
118.60
118.60
118.60
118.60
118.60
118.60
Continued on next page...
Page 37
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
54
54
54
21
54
54
54
54
54
54
54
54
54
21
54
24
54
21
54
54
54
54
21
21
56
54
21
54
21
21
54
21
42
54
54
21
21
54
21
34
BA
AA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
A3
BA
AA
BA
BA
BA
BA
AA
AA
B5
BA
AA
BA
AA
AA
BA
AA
BT
BA
BA
AA
AA
BA
AA
BL
1953
288
1952
2654
845
66
1393
1668
1717
1618
1085
1129
1966
345
1803
959
1496
74
2799
1067
1508
1610
1126
1678
1360
1318
60
354
1280
10
629
139
1794
539
3
2560
1783
1213
1288
2835
320
2
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
ARG
Atoms
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH2
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH2
Z
-10.11
-10.11
-10.11
-10.11
-10.10
-10.10
-10.09
-10.08
-10.08
-10.07
-10.07
-10.07
-10.07
-10.06
-10.06
-10.06
-10.05
-10.05
-10.05
-10.04
-10.04
10.04
-10.03
-10.02
-10.02
-10.02
10.02
-10.01
-10.00
-10.00
-10.00
-10.00
-10.00
-9.99
9.99
-9.98
-9.98
-9.98
-9.98
-9.98
-9.97
9.97
4V74
Observed( ) Ideal( )
o
112.53
112.53
112.54
112.54
112.54
112.54
112.55
112.55
112.55
112.56
112.56
112.56
112.56
112.56
112.56
112.56
112.57
112.57
112.57
112.57
112.57
116.23
112.58
112.59
112.59
112.59
125.31
112.59
112.60
112.60
112.60
112.60
112.60
112.60
125.30
112.61
112.61
112.61
112.61
112.61
112.62
125.28
o
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
108.20
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
120.30
Continued on next page...
Page 38
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
21
21
21
54
21
54
54
21
54
54
54
54
54
54
21
54
54
54
21
21
21
54
54
55
55
54
54
54
54
54
54
54
54
21
54
21
54
54
54
BA
AA
AA
AA
AA
AA
BA
AA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
AA
AA
AA
BA
BA
BB
BB
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
AA
BA
BA
BA
2108
152
274
1152
1204
1408
945
782
784
1230
181
941
5
1762
1453
1943
2886
223
925
1610
1916
510
1044
579
947
1147
39
66
44
849
654
216
927
1134
1067
2665
1171
160
716
282
1552
675
A
A
A
A
A
A
A
A
G
A
A
A
A
A
A
U
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
Atoms
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
Z
-9.96
-9.95
-9.96
-9.96
-9.96
-9.95
-9.95
-9.95
9.94
-9.93
-9.91
-9.90
-9.90
-9.90
-9.90
9.89
9.89
-9.89
-9.87
-9.86
-9.86
-9.86
-9.86
-9.85
-9.85
-9.85
-9.85
-9.85
-9.84
-9.84
-9.84
-9.84
-9.84
-9.83
-9.82
-9.82
-9.81
-9.81
-9.80
-9.80
9.79
-9.77
4V74
Observed( ) Ideal( )
o
112.62
112.63
112.63
112.63
112.63
112.63
112.63
112.63
116.16
112.64
112.65
112.66
112.66
112.66
112.66
116.11
116.11
112.67
112.68
112.68
112.68
112.69
112.69
112.69
112.69
112.69
112.69
112.69
112.69
112.69
112.70
112.70
112.70
112.70
112.70
112.71
112.71
112.71
112.72
112.72
116.03
112.74
o
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
108.20
118.60
118.60
118.60
118.60
118.60
118.60
108.20
108.20
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
108.20
118.60
Continued on next page...
Page 39
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
54
21
54
54
39
38
21
2
23
54
21
54
54
55
54
54
21
54
54
54
21
54
21
54
54
54
21
54
54
54
43
54
54
21
21
54
54
21
54
21
AA
AA
BA
AA
BA
BA
BQ
BP
AA
AC
A2
BA
AA
BA
BA
BB
BA
BA
AA
BA
BA
BA
AA
BA
AA
BA
BA
BA
AA
BA
BA
BA
BU
BA
BA
AA
AA
BA
BA
AA
BA
AA
250
1346
2518
1005
2765
1586
29
38
969
64
91
165
1019
2169
126
50
608
2052
845
905
1739
1098
622
111
1287
2198
1433
1284
78
1340
1900
481
81
2268
2634
80
1196
2451
2639
767
1144
825
A
A
A
A
A
A
ARG
ARG
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
U
A
G
ARG
A
A
A
A
A
A
A
A
A
Atoms
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
NE-CZ-NH1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C1'-O4'-C4'
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
N1-C6-N6
O4'-C1'-N9
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
Z
-9.77
-9.77
-9.77
-9.76
-9.75
-9.73
9.73
9.73
-9.73
9.72
-9.72
-9.72
-9.71
-9.71
-9.71
-9.71
-9.70
-9.70
-9.70
-9.70
-9.70
-9.69
-9.69
-9.69
-9.68
-9.68
-9.68
-9.67
-9.67
9.67
-9.66
9.65
9.64
-9.64
-9.64
-9.63
-9.62
-9.62
-9.62
-9.62
-9.62
-9.61
4V74
Observed( ) Ideal( )
o
112.74
112.74
112.74
112.75
112.75
112.76
125.17
125.17
112.77
125.16
112.77
112.77
112.77
112.77
112.78
112.78
112.78
112.78
102.14
112.78
112.78
112.78
112.79
112.79
112.79
112.79
112.80
112.80
112.80
115.93
112.81
115.92
125.12
112.81
112.81
112.82
112.83
112.83
112.83
112.83
112.83
112.83
o
118.60
118.60
118.60
118.60
118.60
118.60
120.30
120.30
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
109.90
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
108.20
118.60
108.20
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
Continued on next page...
Page 40
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
21
21
54
54
21
54
54
54
54
25
24
21
21
21
54
54
54
54
54
54
21
21
26
54
54
54
21
54
54
21
54
13
54
54
54
22
54
54
54
7
AA
BA
AA
AA
BA
BA
AA
BA
BA
BA
BA
BC
A3
AA
AA
AA
BA
BA
BA
BA
BA
BA
AA
AA
BD
BA
BA
BA
AA
BA
BA
AA
BA
AN
BA
BA
BA
A1
BA
BA
BA
AH
303
1490
1333
349
119
1570
1493
2369
586
631
1175
12
77
238
696
918
918
504
1237
2761
227
507
196
431
77
300
668
213
171
2886
2309
915
2225
24
781
693
71
66
322
751
1616
12
A
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
ARG
Atoms
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
Z
-9.61
-9.61
-9.61
-9.61
-9.61
-9.60
-9.60
-9.60
-9.59
-9.59
-9.59
9.59
-9.58
-9.58
-9.58
-9.57
-9.57
9.57
-9.57
-9.56
-9.55
-9.55
-9.55
-9.54
9.54
-9.54
-9.54
-9.53
-9.53
-9.53
-9.52
-9.52
-9.52
9.52
-9.52
-9.51
-9.50
-9.49
-9.49
-9.49
-9.48
9.47
4V74
Observed( ) Ideal( )
o
112.83
112.83
112.83
112.84
112.84
112.84
112.84
112.84
112.85
112.85
112.85
125.09
112.85
112.85
112.85
112.86
112.86
115.85
112.86
112.86
112.87
112.87
112.87
112.87
125.07
112.88
112.88
112.88
112.88
112.88
112.89
112.89
112.89
125.06
112.89
112.90
112.90
112.91
112.91
112.91
112.91
125.04
o
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
108.20
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
Continued on next page...
Page 41
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
41
54
54
21
49
54
11
25
21
54
54
54
54
54
21
54
21
54
23
21
21
44
25
7
21
54
54
21
21
21
46
21
55
54
54
54
21
21
36
54
51
AA
BS
BA
BA
AA
B0
BA
AL
BC
AA
BA
BA
BA
BA
BA
AA
BA
AA
BA
A2
AA
AA
BV
BC
AH
AA
BA
BA
AA
AA
AA
BX
AA
BB
BA
BA
BA
AA
AA
BN
BA
B2
1394
84
38
1133
676
16
2478
109
237
441
1086
2088
975
2095
689
59
877
583
1866
79
19
1476
79
68
14
1130
528
2381
306
8
1101
56
1150
52
715
1226
1264
65
1163
96
633
34
A
ARG
A
A
A
ARG
A
ARG
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
ARG
ARG
ARG
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
ARG
A
ARG
Atoms
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
NE-CZ-NH1
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
NE-CZ-NH1
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
NE-CZ-NH1
Z
-9.47
9.47
-9.46
-9.46
-9.46
9.45
-9.45
9.44
9.44
-9.44
-9.44
-9.44
-9.44
-9.44
-9.43
-9.42
-9.42
-9.42
-9.42
-9.41
-9.41
-9.40
9.40
9.40
9.39
-9.39
-9.39
-9.39
-9.39
-9.39
-9.38
9.38
-9.38
-9.38
-9.37
-9.37
-9.37
-9.37
-9.37
9.37
-9.37
9.36
4V74
Observed( ) Ideal( )
o
112.92
125.04
112.92
112.92
112.92
125.03
112.93
125.02
125.02
112.93
112.94
112.94
112.94
112.94
112.94
112.95
112.95
112.95
112.95
112.95
112.95
112.96
125.00
125.00
125.00
112.97
112.97
112.97
112.97
112.97
112.97
124.99
112.97
112.97
112.98
112.98
112.98
112.98
112.98
124.98
112.98
124.98
o
118.60
120.30
118.60
118.60
118.60
120.30
118.60
120.30
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
120.30
120.30
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
120.30
Continued on next page...
Page 42
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
21
54
21
21
54
54
54
54
54
22
54
54
21
54
54
54
21
54
3
21
54
54
54
54
41
54
54
54
54
54
54
54
47
54
54
24
54
21
54
BA
AA
AA
AA
BA
AA
AA
BA
BA
BA
BA
BA
A1
BA
BA
AA
BA
BA
BA
AA
BA
AD
AA
BA
BA
BA
BA
BS
BA
BA
BA
BA
BA
BA
BA
BY
BA
BA
A3
BA
AA
BA
1847
1254
1534
523
1918
600
1433
1010
2899
346
752
2476
38
2158
2412
560
742
1640
2530
977
788
72
706
2721
1328
1634
750
25
2058
1275
1534
1885
2135
1690
2868
52
900
1057
77
2386
131
2170
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
ARG
A
A
U
A
A
A
A
ARG
A
A
A
A
A
A
Atoms
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
C4-C5-C6
N1-C6-N6
N1-C6-N6
N1-C6-N6
Z
-9.36
-9.35
-9.35
-9.34
-9.34
-9.34
-9.34
9.34
-9.33
-9.33
9.33
-9.32
-9.32
-9.32
-9.32
-9.32
-9.32
-9.31
-9.31
-9.31
-9.31
9.30
-9.30
-9.30
-9.30
-9.30
-9.30
9.29
-9.29
-9.29
9.28
-9.28
-9.28
-9.28
-9.28
9.27
-9.27
-9.27
-9.25
-9.24
-9.24
-9.23
4V74
Observed( ) Ideal( )
o
112.99
112.99
112.99
113.00
112.99
113.00
113.00
122.37
113.00
113.00
115.66
113.00
113.01
113.01
113.01
113.01
113.01
113.01
113.01
113.02
113.02
124.95
113.02
113.02
113.02
113.02
113.02
124.95
113.02
113.03
115.62
113.03
113.03
113.03
113.03
124.94
113.04
113.04
112.38
113.06
113.06
113.06
o
118.60
118.60
118.60
118.60
118.60
118.60
118.60
117.70
118.60
118.60
108.20
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
108.20
118.60
118.60
118.60
118.60
120.30
118.60
118.60
117.00
118.60
118.60
118.60
Continued on next page...
Page 43
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
54
21
55
1
21
54
21
21
21
54
21
21
21
21
21
54
54
54
54
54
54
54
46
21
54
21
54
54
21
54
54
54
54
54
54
26
54
54
55
AA
BA
BA
BA
AA
BB
AB
AA
BA
AA
AA
AA
BA
AA
AA
AA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BX
AA
BA
AA
BA
BA
AA
BA
BA
BA
BA
BA
BA
BD
BA
BA
BB
279
2513
677
74
1016
99
112
1093
1700
411
919
1311
1515
183
250
935
1004
1179
89
734
1077
863
466
1960
2171
27
807
2377
718
1301
504
753
1142
2430
1366
1665
2423
1970
13
2340
2278
46
A
A
A
A
A
A
ARG
A
A
A
A
A
A
C
A
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
U
A
ARG
A
A
A
Atoms
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N3-C2-O2
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5'-C4'-O4'
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
Z
-9.23
-9.22
-9.21
-9.20
-9.20
-9.20
9.19
-9.19
-9.19
-9.19
-9.19
-9.19
-9.19
-9.18
9.17
-9.17
-9.17
-9.16
-9.16
-9.16
-9.16
-9.16
-9.15
-9.15
-9.15
9.15
-9.15
-9.15
-9.14
9.14
-9.13
-9.12
-9.12
-9.12
-9.12
-9.12
9.12
-9.11
9.11
-9.11
-9.11
-9.11
4V74
Observed( ) Ideal( )
o
113.06
113.06
113.08
113.08
113.08
113.08
124.90
113.09
113.09
113.09
113.09
113.09
113.09
115.47
122.29
113.10
113.10
113.10
113.10
113.10
113.10
113.11
113.11
113.11
113.11
124.88
113.11
113.11
113.11
120.07
113.12
113.13
113.13
113.13
113.13
113.13
115.49
113.13
124.86
113.13
113.14
113.14
o
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
121.90
117.70
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
109.10
118.60
118.60
118.60
118.60
118.60
118.60
108.20
118.60
120.30
118.60
118.60
118.60
Continued on next page...
Page 44
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
4
21
40
54
21
54
54
54
54
21
54
54
54
3
21
54
54
54
54
21
21
21
21
54
54
21
54
54
21
54
21
54
54
54
54
54
21
54
54
54
54
54
AE
AA
BR
BA
AA
BA
BA
BA
BA
AA
BA
BA
BA
AD
AA
BA
BA
BA
BA
AA
AA
AA
AA
BA
BA
AA
BA
BA
AA
BA
AA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
53
655
90
1679
315
1871
2657
1029
195
1492
2565
352
1287
61
673
1169
1419
990
2212
1219
28
493
975
2547
156
1447
522
125
493
2031
675
140
2333
1127
2037
217
81
2191
627
1722
2288
2015
ARG
A
ARG
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
C
A
A
A
A
A
A
A
A
A
A
Atoms
NE-CZ-NH1
N1-C6-N6
NE-CZ-NH2
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
C5-C6-N1
O4'-C1'-N9
N1-C6-N6
N3-C2-O2
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
Z
9.10
-9.10
9.10
-9.10
-9.10
-9.10
-9.10
-9.09
-9.09
-9.09
-9.08
-9.08
-9.08
9.07
-9.07
-9.07
-9.07
-9.07
9.07
-9.06
-9.06
-9.06
-9.06
-9.06
-9.04
-9.04
-9.04
9.04
9.03
9.04
-9.03
-9.03
-9.03
-9.03
-9.03
-9.02
-9.02
-9.02
-9.02
-9.02
-9.02
-9.01
4V74
Observed( ) Ideal( )
o
124.85
113.14
124.85
113.14
113.14
113.14
113.14
113.14
113.15
113.15
113.15
113.16
113.15
124.84
113.16
113.16
113.16
113.16
115.46
113.16
113.16
113.16
113.17
113.17
113.17
113.17
113.17
115.43
122.22
115.43
113.18
115.58
113.18
113.18
113.19
113.19
113.19
113.19
113.19
113.19
113.19
113.19
o
120.30
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
108.20
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
108.20
117.70
108.20
118.60
121.90
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
Continued on next page...
Page 45
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
54
21
54
12
54
54
54
24
24
54
54
21
24
54
54
54
21
21
21
54
54
54
21
21
54
21
54
55
54
54
54
54
54
21
27
28
54
54
2
54
AA
AA
BA
AA
BA
AM
BA
BA
BA
A3
A3
BA
BA
AA
A3
BA
BA
BA
AA
AA
AA
BA
BA
BA
AA
AA
BA
AA
BA
BB
BA
BA
BA
BA
BA
AA
BE
BF
BA
BA
AC
BA
1336
1289
1913
98
753
69
457
1569
2062
22
36
2031
2531
448
44
1912
2589
2781
1239
1468
26
1672
2741
960
205
373
1080
74
2005
58
309
64
844
1246
1701
374
49
109
2328
161
58
1390
C
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
ARG
ARG
A
A
ARG
U
Atoms
N1-C2-O2
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
O4'-C1'-N1
Z
9.01
9.01
-9.01
-9.00
-9.00
9.00
-9.00
-9.00
-8.99
-8.99
-8.98
-8.98
-8.98
-8.97
-8.97
-8.97
-8.97
-8.97
-8.97
-8.97
-8.96
-8.97
-8.96
-8.96
-8.96
-8.96
-8.96
-8.95
-8.95
-8.95
-8.94
-8.94
-8.94
-8.94
-8.94
-8.94
8.94
8.93
-8.93
-8.92
8.91
8.91
4V74
Observed( ) Ideal( )
o
124.31
122.20
113.20
113.20
113.20
124.80
113.20
113.20
113.21
113.21
113.21
113.21
113.21
113.22
113.22
113.22
113.22
113.22
113.22
113.22
113.22
113.22
113.22
113.22
113.22
113.22
113.23
113.23
113.23
113.23
113.23
113.23
113.23
113.24
113.24
113.24
124.77
124.76
113.24
113.25
124.76
115.33
o
118.90
117.70
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
120.30
118.60
118.60
120.30
108.20
Continued on next page...
Page 46
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
24
21
41
54
54
21
32
54
21
24
54
21
26
21
21
54
21
54
54
21
21
21
54
54
54
21
54
21
34
17
54
54
21
24
54
21
54
21
BA
BA
BA
BA
A3
AA
BS
BA
BA
AA
BJ
BA
AA
A3
BA
AA
BD
AA
AA
BA
AA
BA
BA
AA
AA
AA
BA
BA
BA
AA
BA
AA
BL
AR
BA
BA
AA
A3
BA
AA
BA
AA
792
101
1061
1614
73
864
92
1420
2482
336
13
2503
1502
45
909
1339
124
1238
695
1262
478
233
661
347
728
1377
1073
2227
472
1349
502
747
132
56
497
603
1105
39
2432
1227
1694
1250
A
A
U
A
A
A
ARG
A
A
A
ARG
A
A
A
A
A
ARG
A
A
A
A
A
A
G
A
A
A
A
A
A
A
A
ARG
ARG
A
A
A
A
A
A
C
A
Atoms
N1-C6-N6
O4'-C1'-N9
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N3-C2-O2
N1-C6-N6
Z
-8.91
8.90
8.90
-8.90
-8.90
-8.90
8.90
-8.90
-8.89
-8.89
8.89
-8.88
-8.88
-8.88
-8.88
-8.88
8.88
-8.87
-8.87
-8.87
-8.86
-8.86
-8.86
8.86
-8.86
-8.86
-8.86
-8.86
-8.85
-8.85
-8.85
-8.85
8.85
8.84
-8.84
-8.84
-8.84
-8.84
-8.84
-8.84
-8.84
-8.83
4V74
Observed( ) Ideal( )
o
113.26
115.32
115.32
113.26
113.26
113.26
124.75
113.26
113.26
113.27
124.74
113.27
113.27
113.27
113.27
113.27
124.74
113.28
113.28
113.28
113.28
113.28
113.28
115.29
113.28
113.29
113.29
113.29
113.29
113.29
113.29
113.29
124.72
124.72
113.29
113.30
113.30
113.30
113.30
113.30
115.72
113.30
o
118.60
108.20
108.20
118.60
118.60
118.60
120.30
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
108.20
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
120.30
118.60
118.60
118.60
118.60
118.60
118.60
121.90
118.60
Continued on next page...
Page 47
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
2
54
54
54
21
21
22
21
54
54
21
54
21
21
21
49
39
21
21
1
54
21
54
21
22
54
21
54
21
21
54
54
54
54
21
55
21
54
54
21
BA
AA
AC
BA
BA
BA
AA
AA
A1
AA
BA
BA
AA
BA
AA
AA
AA
B0
BQ
AA
AA
AB
BA
AA
BA
AA
A1
BA
AA
BA
AA
AA
BA
BA
BA
BA
AA
BB
AA
BA
BA
AA
2750
192
87
1084
2418
1551
596
681
73
994
2241
42
1229
404
162
179
459
9
49
958
1368
221
1285
872
1254
246
6
1664
913
1384
792
663
984
1495
207
2706
996
29
1280
73
1268
182
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
A
ARG
ARG
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
Atoms
O4'-C1'-N9
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C1'-O4'-C4'
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
Z
8.83
-8.83
8.83
-8.83
-8.82
-8.82
-8.81
-8.81
-8.81
-8.81
-8.81
-8.80
-8.80
-8.80
-8.79
-8.79
-8.79
8.79
8.79
-8.79
-8.79
8.78
-8.79
-8.78
-8.78
-8.77
-8.77
-8.77
-8.77
-8.77
-8.76
-8.76
-8.76
-8.76
-8.76
-8.76
-8.75
-8.75
8.75
-8.74
-8.74
-8.74
4V74
Observed( ) Ideal( )
o
115.27
113.30
124.71
113.30
113.31
113.31
113.31
113.31
113.31
113.31
113.31
113.32
102.86
113.32
113.32
113.32
113.33
124.70
124.70
113.33
113.33
124.69
113.33
113.33
113.33
113.34
113.34
113.34
113.34
113.34
113.34
113.34
113.34
113.34
113.34
113.35
113.35
113.35
122.07
113.36
113.35
113.36
o
108.20
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
109.90
118.60
118.60
118.60
118.60
120.30
120.30
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
117.70
118.60
118.60
118.60
Continued on next page...
Page 48
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
21
21
21
54
54
54
37
36
21
54
54
54
21
54
54
54
54
21
54
9
55
47
21
54
54
8
54
54
21
24
54
54
3
21
21
21
54
21
BA
BA
BA
BA
AA
AA
AA
BA
BA
BA
BO
BN
AA
BA
BA
BA
AA
BA
BA
BA
BA
AA
BA
AJ
BB
BY
AA
BA
BA
AI
BA
BA
AA
A3
BA
BA
AD
AA
AA
AA
BA
AA
1434
2461
602
1705
313
509
253
1535
2352
637
16
30
914
1288
1609
2425
364
833
2142
1063
2469
498
2564
48
108
29
393
776
1987
105
2497
2776
815
38
655
103
2
814
845
1146
861
1191
A
A
A
A
A
A
A
A
A
A
ARG
ARG
A
G
A
A
A
A
A
G
A
A
A
ARG
A
ARG
A
G
A
ARG
A
A
A
A
A
A
ARG
A
A
A
A
A
Atoms
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
NE-CZ-NH1
N1-C6-N6
O4'-C1'-N9
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
Z
8.74
-8.74
-8.73
-8.73
-8.73
-8.73
-8.72
-8.72
-8.72
-8.72
8.72
8.72
-8.71
8.72
8.72
-8.71
-8.71
-8.70
-8.70
8.70
-8.69
-8.69
-8.69
8.69
-8.69
8.69
-8.68
8.68
-8.68
8.68
-8.68
-8.68
-8.67
-8.67
-8.67
-8.67
8.66
-8.66
-8.66
-8.66
-8.66
-8.66
4V74
Observed( ) Ideal( )
o
115.19
113.36
113.36
113.36
113.36
113.36
113.36
113.36
113.36
113.37
124.66
124.66
113.37
115.17
122.06
113.37
113.38
113.38
113.38
115.16
113.38
113.38
113.38
124.65
113.39
124.64
113.39
115.14
113.39
124.64
113.39
113.39
113.40
113.40
113.40
113.40
124.63
113.40
113.40
113.40
113.40
113.40
o
108.20
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
120.30
120.30
118.60
108.20
117.70
118.60
118.60
118.60
118.60
108.20
118.60
118.60
118.60
120.30
118.60
120.30
118.60
108.20
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
Continued on next page...
Page 49
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
21
24
21
54
54
54
54
54
21
22
54
34
21
21
54
54
15
54
54
21
54
21
54
54
22
54
21
54
54
21
54
2
54
54
54
21
21
55
54
AA
BA
BA
AA
A3
AA
BA
BA
BA
BA
BA
AA
A1
BA
BL
AA
AA
BA
BA
AP
BA
BA
AA
BA
AA
BA
BA
A1
BA
AA
BA
BA
AA
BA
AC
BA
BA
BA
AA
AA
BB
BA
1256
699
1571
172
77
913
1027
2092
2503
1276
515
937
26
460
78
55
77
1070
829
28
2030
2675
1430
2388
1467
2727
1773
69
221
1201
2749
2432
243
1821
135
1504
2077
2740
712
1493
34
428
A
A
A
A
A
A
A
U
A
A
A
A
A
A
ARG
A
A
A
A
ARG
A
A
A
A
C
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
Atoms
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
O4'-C1'-N1
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N3-C2-O2
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
Z
-8.65
-8.65
-8.65
8.65
8.65
8.64
-8.64
8.64
8.64
-8.64
-8.63
8.63
-8.63
-8.63
8.63
-8.62
-8.62
-8.62
8.62
8.62
-8.62
-8.62
-8.62
-8.62
-8.61
-8.62
-8.61
-8.60
-8.60
8.60
-8.60
8.60
-8.60
-8.60
8.59
-8.59
-8.59
-8.59
-8.59
8.59
-8.59
-8.58
4V74
Observed( ) Ideal( )
o
113.41
113.41
113.41
122.02
122.03
122.02
113.41
115.11
115.11
113.42
113.42
122.02
113.42
113.42
124.61
113.43
113.42
113.43
115.10
124.61
113.43
113.43
113.43
113.43
115.87
113.43
113.44
113.44
113.44
122.00
113.44
122.00
113.44
113.44
124.59
113.44
113.45
113.45
113.45
121.99
113.45
113.45
o
118.60
118.60
118.60
117.70
117.70
117.70
118.60
108.20
108.20
118.60
118.60
117.70
118.60
118.60
120.30
118.60
118.60
118.60
108.20
120.30
118.60
118.60
118.60
118.60
121.90
118.60
118.60
118.60
118.60
117.70
118.60
117.70
118.60
118.60
120.30
118.60
118.60
118.60
118.60
117.70
118.60
118.60
Continued on next page...
Page 50
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
54
12
21
54
54
21
21
21
21
54
54
54
54
21
54
54
54
6
21
54
21
54
54
21
28
54
54
21
54
54
55
54
21
54
54
21
54
21
54
54
AA
AA
BA
AM
AA
BA
BA
AA
AA
AA
AA
BA
BA
BA
BA
AA
BA
BA
BA
AG
AA
BA
AA
BA
BA
AA
BF
BA
BA
AA
BA
BA
BB
BA
AA
BA
BA
AA
BA
AA
BA
BA
977
1012
144
86
909
592
2335
715
1183
183
759
1603
2882
2628
146
787
752
1632
2602
110
1216
2158
547
959
2212
1398
91
1854
2516
1180
294
1156
45
323
1197
1522
1111
1176
503
1021
896
1439
A
A
A
ARG
A
A
A
A
U
C
A
A
A
C
A
A
A
A
A
ARG
A
A
A
A
A
A
ARG
A
A
A
A
A
A
C
A
A
A
A
A
A
A
A
Atoms
C5-C6-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N3-C2-O2
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N3-C2-O2
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
Z
8.58
-8.58
-8.58
8.57
-8.57
-8.57
-8.57
-8.56
8.56
8.56
-8.56
-8.56
-8.56
-8.56
-8.55
-8.55
8.55
-8.55
-8.55
8.55
8.55
8.55
8.55
8.54
-8.55
-8.54
8.54
-8.54
-8.53
-8.53
-8.53
-8.53
-8.52
-8.52
-8.52
-8.52
-8.51
-8.51
-8.51
-8.50
-8.50
8.50
4V74
Observed( ) Ideal( )
o
121.99
113.45
113.45
124.58
113.46
113.46
113.46
113.46
115.05
115.05
113.46
113.46
113.47
115.91
113.47
113.47
121.97
113.47
113.47
124.57
121.97
121.97
121.97
121.97
113.47
113.48
124.57
113.48
113.48
113.48
113.48
113.48
113.49
115.94
113.49
113.49
113.49
113.50
113.50
113.50
113.50
115.00
o
117.70
118.60
118.60
120.30
118.60
118.60
118.60
118.60
108.20
108.20
118.60
118.60
118.60
121.90
118.60
118.60
117.70
118.60
118.60
120.30
117.70
117.70
117.70
117.70
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
118.60
121.90
118.60
118.60
118.60
118.60
118.60
118.60
118.60
108.20
Continued on next page...
Page 51
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
21
54
24
21
21
54
54
21
54
54
54
54
54
54
12
21
54
21
22
3
54
54
54
54
21
21
54
54
54
54
21
54
10
54
21
54
54
54
9
21
AA
AA
AA
BA
A3
AA
AA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AM
AA
BA
AA
A1
AD
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
AA
BA
AK
BA
AA
BA
BA
BA
AJ
AA
1035
10
560
478
60
356
694
1304
2666
974
226
1552
199
320
1126
1654
91
766
2448
309
16
114
735
1650
430
1525
532
1022
670
973
979
1608
602
981
36
677
1216
195
1913
1791
72
1155
A
A
A
A
A
A
A
A
C
A
A
A
A
A
A
A
ARG
A
A
A
C
ARG
A
A
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
ARG
A
Atoms
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N3-C2-O2
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
Z
-8.49
-8.49
8.49
-8.49
-8.49
-8.49
-8.49
-8.49
8.48
-8.48
-8.47
-8.47
-8.47
-8.47
8.47
-8.47
8.47
-8.46
-8.46
-8.46
-8.46
8.45
-8.45
-8.45
-8.45
-8.45
-8.44
-8.44
-8.44
-8.44
-8.44
-8.44
-8.44
8.44
8.43
8.43
-8.43
8.43
8.43
-8.43
8.42
-8.42
4V74
Observed( ) Ideal( )
o
113.50
113.51
121.94
113.50
113.51
113.51
113.51
113.51
114.98
113.51
113.52
113.52
113.52
113.52
121.94
113.52
124.53
113.52
113.52
113.53
115.98
124.53
113.53
113.53
113.53
113.53
113.53
113.53
113.53
113.53
113.54
113.54
113.54
121.92
124.51
121.91
113.54
121.91
121.91
113.55
124.51
113.55
o
118.60
118.60
117.70
118.60
118.60
118.60
118.60
118.60
108.20
118.60
118.60
118.60
118.60
118.60
117.70
118.60
120.30
118.60
118.60
118.60
121.90
120.30
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
117.70
120.30
117.70
118.60
117.70
117.70
118.60
120.30
118.60
Continued on next page...
Page 52
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
36
21
21
32
54
21
54
54
54
54
54
54
54
54
54
54
54
21
21
54
54
54
21
54
21
21
21
54
54
54
54
54
31
36
54
21
9
54
54
BA
BA
AA
BN
AA
AA
BJ
BA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
AA
BA
AA
AA
AA
BA
BA
BA
BA
BA
BI
BN
BA
AA
AJ
BA
BA
56
2450
397
4
33
298
116
13
1396
1928
1932
2825
2820
2435
127
2753
794
2071
1566
1609
129
1151
131
2808
2033
1350
1253
1428
7
44
1819
2541
2778
845
2266
126
90
422
344
7
1420
621
A
A
A
ARG
A
A
ARG
A
A
A
A
G
A
A
A
A
A
A
A
A
A
A
A
G
A
A
A
A
A
A
A
A
A
A
A
ARG
ARG
A
A
ARG
A
A
Atoms
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
Z
-8.42
-8.42
-8.42
8.42
-8.41
-8.41
8.41
-8.41
-8.41
-8.41
-8.41
8.41
-8.40
-8.40
-8.40
-8.40
-8.39
-8.39
-8.39
-8.39
-8.39
-8.38
-8.38
8.38
-8.38
-8.38
-8.38
-8.38
-8.37
-8.38
-8.38
-8.37
-8.37
8.37
-8.37
8.37
8.37
-8.37
-8.36
8.36
8.36
-8.35
4V74
Observed( ) Ideal( )
o
113.55
113.55
113.55
124.51
113.55
113.55
124.51
113.55
113.55
113.55
113.56
114.93
113.56
113.56
113.56
113.56
113.56
113.56
113.56
113.57
113.57
113.57
113.57
114.91
113.57
113.57
113.57
113.58
113.58
113.58
113.58
113.58
113.58
121.89
113.58
124.48
124.48
113.58
113.58
124.48
121.88
113.59
o
118.60
118.60
118.60
120.30
118.60
118.60
120.30
118.60
118.60
118.60
118.60
108.20
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
108.20
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
117.70
118.60
120.30
120.30
118.60
118.60
120.30
117.70
118.60
Continued on next page...
Page 53
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
48
21
21
54
36
54
17
21
40
54
54
21
21
54
54
21
54
54
54
54
41
54
54
54
54
54
54
54
55
8
21
21
54
54
54
54
54
54
54
55
54
AA
BZ
AA
AA
BA
BN
BA
AR
AA
BR
BA
BA
AA
AA
BA
BA
AA
BA
BA
BA
BA
BS
BA
BA
BA
BA
BA
BA
BA
BB
AI
AA
AA
BA
BA
BA
BA
BA
BA
BA
BB
BA
1042
15
363
968
1535
8
453
52
321
79
739
2051
1027
1046
1566
1791
149
49
804
1244
125
88
1032
1780
2267
2468
599
959
2471
109
94
109
889
2163
1789
563
342
802
1009
1205
53
1548
A
ARG
A
A
A
ARG
A
ARG
A
ARG
A
A
C
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
Atoms
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
NE-CZ-NH2
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
Z
-8.35
8.35
-8.35
-8.35
8.35
8.34
-8.34
8.34
-8.34
8.33
8.33
-8.33
-8.33
8.33
8.33
8.33
-8.32
-8.32
-8.32
-8.32
8.31
8.31
-8.31
-8.31
8.31
-8.31
-8.31
-8.31
-8.30
8.30
8.30
-8.30
8.30
-8.30
-8.29
-8.29
-8.29
-8.29
8.29
8.29
8.28
-8.28
4V74
Observed( ) Ideal( )
o
113.59
124.48
113.59
113.59
121.87
124.47
113.59
124.47
113.60
124.47
121.86
113.60
116.07
121.86
121.86
121.86
113.61
113.61
113.61
113.61
121.86
124.46
113.61
113.61
121.86
113.61
113.61
113.61
113.62
121.85
124.45
113.62
121.85
113.62
113.62
113.62
113.63
113.63
121.84
121.84
121.84
113.63
o
118.60
120.30
118.60
118.60
117.70
120.30
118.60
120.30
118.60
120.30
117.70
118.60
121.90
117.70
117.70
117.70
118.60
118.60
118.60
118.60
117.70
120.30
118.60
118.60
117.70
118.60
118.60
118.60
118.60
117.70
120.30
118.60
117.70
118.60
118.60
118.60
118.60
118.60
117.70
117.70
117.70
118.60
Continued on next page...
Page 54
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
22
6
13
21
54
54
21
21
54
54
8
21
21
54
21
37
54
54
54
21
54
54
54
54
25
54
54
22
54
54
54
54
55
21
21
54
54
54
54
54
54
54
A1
AG
AN
AA
BA
BA
AA
AA
BA
BA
AI
AA
AA
BA
AA
BO
BA
BA
BA
AA
BA
BA
BA
BA
BC
BA
BA
A1
BA
BA
BA
BA
BB
AA
AA
BA
BA
BA
BA
BA
BA
BA
60
108
69
371
91
1745
1246
547
272
1652
48
573
967
94
72
13
2042
2850
2450
1324
2800
782
1641
1544
220
2566
1321
41
1853
6
482
2614
15
152
704
1390
176
1496
1552
2173
2070
2792
C
ARG
ARG
A
A
A
A
A
A
A
ARG
A
C
A
A
ARG
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
U
A
A
A
A
A
A
Atoms
N3-C2-O2
NE-CZ-NH1
NE-CZ-NH1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
C4-C5-C6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N3-C2-O2
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH2
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
C4-C5-C6
N1-C6-N6
C5-C6-N1
N1-C6-N6
C1'-O4'-C4'
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
Z
-8.28
8.28
8.28
-8.27
8.27
8.27
-8.27
-8.26
-8.26
-8.26
8.26
-8.26
-8.26
-8.26
-8.25
8.25
-8.25
-8.25
8.25
-8.25
-8.25
8.24
-8.24
-8.24
8.24
-8.24
8.23
-8.23
-8.23
8.23
-8.23
-8.22
-8.22
8.22
-8.22
-8.22
8.22
8.22
8.22
-8.22
8.21
-8.21
4V74
Observed( ) Ideal( )
o
116.11
124.44
124.44
113.64
121.83
121.83
113.64
112.87
113.64
113.64
124.43
113.64
116.12
113.65
113.65
124.43
113.65
113.65
121.83
113.65
113.65
121.82
113.66
113.66
124.42
113.66
121.82
113.66
113.66
121.81
113.66
112.89
113.67
121.81
113.67
103.32
121.81
121.81
121.81
113.67
121.81
113.67
o
121.90
120.30
120.30
118.60
117.70
117.70
118.60
117.00
118.60
118.60
120.30
118.60
121.90
118.60
118.60
120.30
118.60
118.60
117.70
118.60
118.60
117.70
118.60
118.60
120.30
118.60
117.70
118.60
118.60
117.70
118.60
117.00
118.60
117.70
118.60
109.90
117.70
117.70
117.70
118.60
117.70
118.60
Continued on next page...
Page 55
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
36
54
54
54
54
21
1
21
21
32
54
54
54
54
23
54
54
54
54
54
19
21
54
54
54
54
54
54
54
21
21
54
54
54
54
21
54
54
38
BA
AA
AA
BN
BA
BA
BA
BA
AA
AB
AA
AA
BJ
BA
BA
BA
BA
A2
BA
BA
BA
BA
BA
AT
AA
BA
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
AA
BA
BA
BP
2868
464
1500
17
1522
2433
1998
1953
189
34
325
1158
95
2646
2879
705
2199
91
2598
1200
743
1095
2406
28
432
1028
299
1477
384
404
996
1901
794
1170
1936
526
2872
1050
183
1378
626
112
A
U
A
ARG
A
A
A
A
A
ARG
A
C
ARG
C
A
A
A
A
A
C
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
A
C
A
A
ARG
Atoms
C5-C6-N1
C1'-O4'-C4'
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N3-C2-O2
NE-CZ-NH2
N3-C2-O2
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
N1-C6-N6
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C2-O2
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
Z
8.21
-8.21
-8.21
8.20
8.20
-8.20
-8.20
8.20
-8.19
8.19
-8.19
-8.19
8.19
-8.19
8.19
-8.19
8.19
8.19
-8.19
-8.19
-8.18
8.18
-8.18
8.18
8.17
8.17
8.17
-8.17
-8.16
8.16
-8.16
-8.16
-8.16
-8.16
-8.16
-8.15
-8.15
-8.15
8.15
-8.15
8.15
8.14
4V74
Observed( ) Ideal( )
o
121.81
103.33
113.68
124.40
121.80
113.68
113.68
121.80
113.68
124.40
113.69
116.17
124.40
116.17
121.80
113.69
121.79
121.79
113.69
116.17
113.69
121.79
113.69
124.39
121.79
121.79
121.78
113.70
113.70
121.78
113.70
113.70
113.71
113.71
113.71
113.71
113.71
113.71
123.79
113.71
121.77
124.37
o
117.70
109.90
118.60
120.30
117.70
118.60
118.60
117.70
118.60
120.30
118.60
121.90
120.30
121.90
117.70
118.60
117.70
117.70
118.60
121.90
118.60
117.70
118.60
120.30
117.70
117.70
117.70
118.60
118.60
117.70
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.60
118.90
118.60
117.70
120.30
Continued on next page...
Page 56
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
52
21
21
54
54
54
21
54
54
54
54
54
21
54
21
21
54
54
21
54
54
21
21
54
54
54
21
21
25
21
54
54
54
54
21
21
21
6
33
BA
BA
BA
B3
AA
AA
BA
BA
BA
AA
BA
BA
BA
BA
BA
AA
BA
AA
AA
BA
BA
AA
BA
BA
AA
AA
BA
BA
BA
AA
AA
BC
AA
BA
BA
BA
BA
AA
AA
AA
AG
BK
1320
6
983
12
777
949
972
173
1260
171
2094
222
1442
2091
1099
1317
176
1110
1499
1054
1387
1146
514
2205
648
687
933
479
1829
792
1067
270
1252
1383
1847
1366
2635
468
1117
554
78
31
C
A
A
ARG
A
A
A
A
A
A
A
A
U
C
G
C
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
ARG
ARG
Atoms
N3-C2-O2
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N9
N3-C2-O2
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C4-C5-C6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH2
NE-CZ-NH1
Z
-8.14
-8.14
-8.14
8.13
-8.13
-8.13
-8.13
-8.13
-8.13
8.13
-8.13
-8.12
8.12
-8.12
8.12
-8.11
-8.11
-8.11
-8.11
-8.11
-8.11
8.11
-8.11
-8.11
-8.11
-8.10
8.10
-8.10
-8.10
8.10
-8.10
8.10
-8.10
-8.10
8.10
8.10
-8.10
-8.09
-8.09
-8.09
8.09
8.09
4V74
Observed( ) Ideal( )
o
116.20
113.72
113.72
124.37
113.72
113.72
113.72
113.72
113.72
121.76
113.72
113.73
114.70
116.22
114.69
116.22
113.73
113.73
113.73
113.73
113.73
121.75
113.73
113.73
113.74
113.74
121.75
113.74
113.74
121.75
112.95
124.35
113.74
113.74
114.68
121.75
113.74
113.74
113.75
113.75
124.34
124.34
o
121.90
118.60
118.60
120.30
118.60
118.60
118.60
118.60
118.60
117.70
118.60
118.60
108.20
121.90
108.20
121.90
118.60
118.60
118.60
118.60
118.60
117.70
118.60
118.60
118.60
118.60
117.70
118.60
118.60
117.70
117.00
120.30
118.60
118.60
108.20
117.70
118.60
118.60
118.60
118.60
120.30
120.30
Continued on next page...
Page 57
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
55
21
54
54
54
4
21
21
54
21
54
54
54
54
54
54
3
21
54
54
54
54
21
54
21
54
54
21
54
21
21
21
45
21
54
54
54
21
21
21
BA
AA
BB
AA
BA
BA
BA
AE
AA
AA
BA
AA
BA
BA
BA
BA
BA
BA
AD
AA
BA
BA
BA
BA
AA
BA
AA
BA
BA
AA
BA
AA
AA
AA
BW
AA
BA
BA
BA
AA
AA
AA
1858
815
70
1374
1700
1028
2541
111
167
728
2835
298
752
2748
616
1089
2154
1668
103
413
643
1809
2247
2310
602
1272
161
1009
1046
595
1698
878
199
609
19
702
1640
1308
1981
155
1256
1157
A
A
C
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
ARG
G
A
A
A
C
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
Atoms
C5-C6-N1
C5-C6-N1
N3-C2-O2
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
O4'-C1'-N9
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
C5-C6-N1
C5-C6-N1
O4'-C1'-N9
N1-C6-N6
C5-C6-N1
N1-C6-N6
Z
8.09
8.09
-8.09
-8.08
8.08
-8.08
8.08
8.08
-8.08
8.08
8.08
8.07
-8.07
8.07
-8.07
-8.07
-8.07
8.07
8.07
8.07
8.07
8.07
-8.07
-8.07
8.06
-8.06
-8.06
-8.06
8.06
-8.05
8.05
-8.05
-8.05
8.05
8.05
-8.05
8.05
8.04
8.04
-8.04
8.04
-8.04
4V74
Observed( ) Ideal( )
o
121.74
121.74
116.24
113.75
121.74
113.75
121.74
124.34
113.75
121.74
121.74
121.74
113.76
121.74
113.76
113.76
113.76
121.73
124.33
114.65
121.73
121.73
113.76
116.25
121.73
113.76
113.77
113.77
121.73
113.77
121.73
113.77
113.77
121.72
124.32
113.77
121.72
121.72
114.64
113.78
121.72
113.78
o
117.70
117.70
121.90
118.60
117.70
118.60
117.70
120.30
118.60
117.70
117.70
117.70
118.60
117.70
118.60
118.60
118.60
117.70
120.30
108.20
117.70
117.70
118.60
121.90
117.70
118.60
118.60
118.60
117.70
118.60
117.70
118.60
118.60
117.70
120.30
118.60
117.70
117.70
108.20
118.60
117.70
118.60
Continued on next page...
Page 58
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
29
54
54
54
54
21
54
54
21
54
21
54
21
43
54
21
54
21
21
54
45
54
21
54
54
54
54
54
35
54
21
54
19
54
54
1
21
21
34
54
54
54
BG
BA
BA
BA
BA
AA
BA
BA
AA
BA
AA
BA
AA
BU
BA
AA
BA
AA
AA
BA
BW
BA
AA
BA
BA
BA
BA
BA
BM
BA
AA
BA
AT
BA
BA
AB
AA
AA
BL
BA
BA
BA
34
1646
2171
477
2725
328
1759
1593
1418
14
1319
718
60
93
1772
101
2614
1225
238
63
40
1503
1214
1347
1393
2238
2281
2176
114
1328
1286
689
24
1914
2750
136
72
452
21
685
1348
299
ARG
C
A
A
A
C
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
ARG
A
C
A
A
G
A
A
ARG
A
U
A
ARG
C
A
ARG
A
A
ARG
A
C
A
Atoms
NE-CZ-NH1
N3-C2-O2
C5-C6-N1
N1-C6-N6
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N3-C2-O2
N1-C6-N6
C5-C6-N1
O4'-C1'-N9
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N1
N1-C6-N6
Z
8.04
-8.04
8.04
-8.04
-8.04
-8.03
8.03
8.03
-8.03
-8.03
-8.02
-8.02
-8.02
8.02
-8.02
-8.02
8.01
8.01
8.01
-8.00
8.00
-8.00
-8.00
-8.00
8.00
8.00
-8.00
8.00
8.00
8.00
7.99
7.99
7.99
-7.99
7.99
7.99
7.99
-7.99
7.99
7.99
7.99
-7.98
4V74
Observed( ) Ideal( )
o
124.32
116.27
121.72
113.78
113.78
116.28
121.71
121.71
113.78
113.78
113.78
113.79
113.79
124.31
113.79
113.79
121.71
121.70
121.70
113.80
124.30
113.80
116.30
113.80
121.70
114.60
113.80
121.70
124.30
121.70
114.59
121.70
124.30
116.31
121.69
124.29
121.69
113.81
124.29
121.69
114.59
113.81
o
120.30
121.90
117.70
118.60
118.60
121.90
117.70
117.70
118.60
118.60
118.60
118.60
118.60
120.30
118.60
118.60
117.70
117.70
117.70
118.60
120.30
118.60
121.90
118.60
117.70
108.20
118.60
117.70
120.30
117.70
108.20
117.70
120.30
121.90
117.70
120.30
117.70
118.60
120.30
117.70
108.20
118.60
Continued on next page...
Page 59
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
20
54
54
54
54
3
21
54
54
21
36
54
54
54
24
21
54
54
54
38
54
54
8
21
21
21
54
45
54
21
55
54
54
54
55
54
24
54
54
21
54
21
AU
BA
BA
BA
BA
AD
AA
BA
BA
AA
BN
BA
BA
BA
A3
AA
BA
BA
BA
BP
BA
BA
AI
AA
AA
AA
BA
BW
BA
AA
BB
BA
BA
BA
BB
BA
A3
BA
BA
AA
BA
AA
16
1336
1490
1583
2336
46
607
118
470
1081
71
204
911
21
58
845
1755
2736
2899
50
1286
1509
11
1022
1229
303
83
13
2660
1261
78
781
945
1755
45
2829
11
1744
332
983
2346
195
ARG
A
A
A
A
ARG
A
A
A
A
ARG
A
A
A
A
A
A
A
A
ARG
A
A
ARG
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
A
Atoms
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH2
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
C4-C5-C6
N1-C6-N6
C4-C5-C6
NE-CZ-NH1
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
Z
7.98
7.98
7.98
-7.98
-7.98
7.98
7.97
-7.97
7.97
-7.97
7.97
-7.97
-7.97
-7.97
-7.97
7.96
-7.96
-7.96
-7.96
7.96
-7.96
7.96
7.95
7.95
-7.95
7.95
-7.95
7.95
-7.95
-7.95
7.95
7.94
7.94
7.94
7.94
-7.94
7.93
-7.93
-7.93
7.93
7.93
-7.93
4V74
Observed( ) Ideal( )
o
124.29
121.69
121.69
113.81
113.81
124.29
121.69
113.81
121.69
113.82
124.28
113.82
113.82
113.82
113.82
114.57
113.02
113.82
113.02
124.28
113.83
121.68
124.28
121.68
113.83
121.67
113.83
124.27
113.83
113.83
121.67
121.67
121.67
121.67
121.67
113.84
121.67
113.84
113.84
121.67
121.67
113.84
o
120.30
117.70
117.70
118.60
118.60
120.30
117.70
118.60
117.70
118.60
120.30
118.60
118.60
118.60
118.60
108.20
117.00
118.60
117.00
120.30
118.60
117.70
120.30
117.70
118.60
117.70
118.60
120.30
118.60
118.60
117.70
117.70
117.70
117.70
117.70
118.60
117.70
118.60
118.60
117.70
117.70
118.60
Continued on next page...
Page 60
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
21
54
21
54
54
21
54
22
22
24
22
54
54
54
54
54
54
55
45
54
54
54
8
54
54
21
55
25
54
54
54
54
55
54
54
54
54
BA
BA
BA
BA
BA
AA
BA
AA
BA
BA
AA
BA
A1
A1
A3
A1
BA
BA
BA
BA
BA
BA
BB
BW
BA
BA
BA
AI
BA
BA
AA
BB
BC
BA
BA
BA
BA
BB
BA
BA
BA
BA
653
1532
676
1143
2051
1257
2883
1340
863
2758
1136
415
58
66
45
76
614
1307
1757
231
1553
1745
59
10
645
1204
482
32
265
2632
1195
41
155
1847
2358
574
2587
88
1336
647
323
1505
U
A
A
A
A
A
A
A
A
A
C
A
A
A
A
A
A
A
A
A
A
A
A
ARG
C
A
A
ARG
A
A
C
G
ARG
A
A
A
A
C
A
G
C
A
Atoms
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N3-C2-O2
N1-C6-N6
N1-C6-N6
C5-C6-N1
C4-C5-C6
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
C5-C6-N1
N1-C6-N6
C4-C5-C6
N1-C6-N6
N1-C6-N6
NE-CZ-NH2
N3-C2-O2
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
N3-C2-O2
O4'-C1'-N9
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
N3-C2-O2
N1-C6-N6
N3-C2-N2
N1-C2-O2
N1-C6-N6
Z
7.93
-7.93
-7.93
-7.93
7.93
-7.92
-7.92
-7.92
7.92
-7.92
-7.92
-7.92
-7.92
7.92
-7.92
-7.91
7.91
-7.91
7.91
-7.91
-7.91
-7.91
-7.91
7.91
-7.91
7.91
7.91
7.90
7.90
-7.90
-7.90
7.90
7.90
7.90
7.90
-7.89
-7.89
-7.89
-7.89
-7.89
7.89
-7.89
4V74
Observed( ) Ideal( )
o
114.54
113.84
113.84
113.84
121.66
113.84
113.85
113.85
121.66
113.85
116.36
113.85
113.85
121.66
113.04
113.85
114.53
113.85
121.66
113.85
113.05
113.85
113.85
124.25
116.36
121.65
121.65
124.25
121.65
113.86
116.37
114.52
124.25
121.65
121.65
113.86
113.86
116.37
113.86
114.38
123.63
113.87
o
108.20
118.60
118.60
118.60
117.70
118.60
118.60
118.60
117.70
118.60
121.90
118.60
118.60
117.70
117.00
118.60
108.20
118.60
117.70
118.60
117.00
118.60
118.60
120.30
121.90
117.70
117.70
120.30
117.70
118.60
121.90
108.20
120.30
117.70
117.70
118.60
118.60
121.90
118.60
119.90
118.90
118.60
Continued on next page...
Page 61
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
12
54
54
55
21
21
54
54
21
51
54
54
54
21
54
54
54
21
21
21
21
54
54
54
54
54
54
54
54
21
54
54
54
54
24
54
54
54
21
54
25
BA
AM
BA
BA
BB
AA
AA
BA
BA
AA
B2
BA
BA
BA
AA
BA
BA
BA
AA
AA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
A3
BA
BA
BA
AA
BA
BC
2198
56
368
1253
73
1302
1434
158
522
300
3
2826
382
1579
85
454
616
1385
1437
1130
196
696
1937
2451
2309
2598
1872
2307
2423
2873
1036
504
783
1302
345
45
182
1669
981
1376
2468
261
A
ARG
A
A
A
C
A
U
A
A
ARG
A
A
A
U
A
A
A
A
A
A
A
A
A
A
A
A
G
U
A
A
A
A
A
A
A
A
A
A
U
A
ARG
Atoms
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
C5-C6-N1
N1-C6-N6
N3-C2-O2
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
N1-C6-N6
NE-CZ-NH2
N1-C6-N6
C4-C5-C6
C5-C6-N1
N3-C2-O2
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
O4'-C1'-N9
C1'-O4'-C4'
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
C5-C6-N1
NE-CZ-NH2
Z
7.89
7.89
-7.89
7.88
-7.88
-7.88
7.88
7.88
7.88
-7.88
7.88
-7.88
-7.88
7.88
-7.87
-7.87
7.87
-7.87
-7.87
7.87
7.87
7.87
7.87
7.87
7.87
7.87
-7.86
7.86
-7.86
-7.86
-7.86
7.86
-7.86
7.86
7.86
7.86
-7.86
-7.86
-7.85
7.85
7.85
7.85
4V74
Observed( ) Ideal( )
o
121.64
124.24
113.87
121.64
113.87
116.38
121.64
114.51
121.64
113.87
124.24
113.87
113.06
121.64
116.69
113.88
121.64
113.88
113.88
121.64
121.63
121.64
121.63
121.63
121.63
121.63
113.88
114.49
103.61
113.88
113.88
121.63
113.88
121.63
121.63
121.63
113.89
113.89
113.89
114.48
121.63
124.22
o
117.70
120.30
118.60
117.70
118.60
121.90
117.70
108.20
117.70
118.60
120.30
118.60
117.00
117.70
122.20
118.60
117.70
118.60
118.60
117.70
117.70
117.70
117.70
117.70
117.70
117.70
118.60
108.20
109.90
118.60
118.60
117.70
118.60
117.70
117.70
117.70
118.60
118.60
118.60
108.20
117.70
120.30
Continued on next page...
Page 62
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
21
27
54
40
54
54
54
21
54
54
54
54
21
54
54
20
21
54
54
54
1
54
54
54
29
21
54
21
21
21
54
21
54
21
21
54
54
BA
BA
BA
BA
BA
AA
BE
BA
BR
BA
BA
BA
AA
BA
BA
BA
BA
AA
BA
BA
AU
AA
BA
BA
BA
AB
BA
BA
BA
BG
AA
BA
AA
AA
AA
BA
AA
BA
AA
AA
BA
BA
975
1637
2020
749
2810
197
117
362
78
1332
1314
1731
948
244
1759
556
1354
10
1453
1829
20
1219
280
2060
2145
107
1050
1593
1383
152
914
2700
906
1275
1410
101
1109
727
262
704
2031
1069
A
A
A
A
A
A
ARG
A
ARG
G
C
G
C
A
A
A
A
A
A
A
ARG
A
U
A
C
ARG
A
A
A
ARG
A
A
A
A
A
A
C
A
A
A
A
A
Atoms
C5-C6-N1
N1-C6-N6
O4'-C1'-N9
N1-C6-N6
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
NE-CZ-NH1
O4'-C1'-N9
N3-C2-O2
O4'-C1'-N9
N3-C2-O2
N1-C6-N6
N1-C6-N6
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N1
N1-C6-N6
N3-C2-O2
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
N3-C2-O2
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
Z
7.85
-7.85
7.85
-7.85
7.85
-7.84
7.84
7.84
7.84
7.84
-7.83
7.83
-7.83
-7.83
-7.83
-7.83
-7.83
7.83
7.83
7.83
7.83
7.83
7.83
-7.83
-7.82
7.82
7.82
-7.82
7.82
7.82
7.81
-7.81
7.81
-7.81
-7.81
7.81
-7.81
-7.81
7.80
7.80
7.80
7.80
4V74
Observed( ) Ideal( )
o
121.62
113.89
114.48
113.89
121.62
113.89
124.22
121.62
124.22
114.47
116.42
114.47
116.42
113.90
113.90
113.90
113.90
121.61
121.61
121.61
124.21
121.61
114.46
113.91
116.42
124.21
121.61
113.91
121.61
124.21
121.61
113.91
121.61
113.92
113.91
121.61
116.44
113.92
121.60
121.60
121.60
121.60
o
117.70
118.60
108.20
118.60
117.70
118.60
120.30
117.70
120.30
108.20
121.90
108.20
121.90
118.60
118.60
118.60
118.60
117.70
117.70
117.70
120.30
117.70
108.20
118.60
121.90
120.30
117.70
118.60
117.70
120.30
117.70
118.60
117.70
118.60
118.60
117.70
121.90
118.60
117.70
117.70
117.70
117.70
Continued on next page...
Page 63
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
54
21
21
22
54
54
15
21
54
54
21
21
54
54
21
21
21
21
54
54
54
21
54
54
54
21
21
21
21
21
54
21
48
54
54
54
54
54
54
54
AA
AA
BA
AA
AA
A1
BA
BA
AP
AA
BA
BA
AA
AA
BA
BA
AA
AA
AA
AA
BA
BA
BA
AA
BA
BA
BA
AA
AA
AA
AA
AA
BA
AA
BZ
BA
BA
BA
BA
BA
BA
BA
345
353
1392
794
1285
21
614
140
5
356
2369
2665
642
932
620
2851
50
729
795
408
71
1359
2820
621
294
1067
1189
495
518
1250
1359
1429
2670
160
29
1010
2573
973
76
972
1876
2164
C
A
A
A
A
A
A
C
ARG
A
A
A
A
C
G
A
A
A
C
A
A
A
A
A
A
A
A
A
C
A
C
A
A
A
ARG
A
C
A
C
A
A
C
Atoms
N3-C2-O2
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C2-O2
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
P-O3'-C3'
O4'-C1'-N9
C4-C5-C6
N1-C6-N6
C5-C6-N1
N3-C2-O2
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
N3-C2-O2
C5-C6-N1
N3-C2-O2
N1-C6-N6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
C4-C5-C6
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-O2
Z
-7.80
7.80
-7.80
7.80
-7.80
7.80
7.80
7.79
7.79
7.79
7.79
7.79
-7.79
7.79
7.79
-7.79
-7.79
7.79
-7.79
-7.79
7.79
-7.79
7.79
-7.78
7.78
7.78
-7.78
-7.78
-7.78
7.78
-7.78
-7.78
-7.78
-7.78
7.77
-7.77
7.77
7.77
-7.77
7.77
7.77
-7.77
4V74
Observed( ) Ideal( )
o
116.44
121.60
113.92
121.60
113.92
121.60
121.60
123.58
124.20
121.59
121.60
121.59
113.93
129.05
114.43
113.11
113.93
121.59
116.45
113.93
121.59
113.93
121.59
113.93
121.59
121.59
113.93
113.93
116.45
121.59
116.46
113.93
113.93
113.94
124.19
113.11
114.42
121.59
116.46
121.58
121.58
116.46
o
121.90
117.70
118.60
117.70
118.60
117.70
117.70
118.90
120.30
117.70
117.70
117.70
118.60
119.70
108.20
117.00
118.60
117.70
121.90
118.60
117.70
118.60
117.70
118.60
117.70
117.70
118.60
118.60
121.90
117.70
121.90
118.60
118.60
118.60
120.30
117.00
108.20
117.70
121.90
117.70
117.70
121.90
Continued on next page...
Page 64
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
55
24
21
54
54
21
54
54
35
54
54
21
21
54
21
54
37
54
54
55
3
21
21
54
21
21
24
54
54
2
21
54
54
54
54
54
54
54
21
21
AA
BA
BB
A3
AA
BA
BA
AA
BA
BA
BM
BA
BA
AA
AA
BA
AA
BA
BO
BA
BA
BB
AD
AA
AA
BA
AA
AA
A3
BA
BA
AC
AA
BA
BA
BA
BA
BA
BA
BA
AA
AA
466
52
78
60
676
910
1762
160
1048
1871
59
2823
764
1456
907
1133
1271
1413
10
959
2781
92
69
48
663
526
71
1403
11
945
983
178
288
497
1652
1783
2786
2860
2211
2705
130
1054
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
ARG
A
A
C
ARG
C
A
A
A
C
A
A
A
ARG
A
A
A
A
U
A
A
A
A
C
Atoms
C5-C6-N1
N1-C6-N6
C4-C5-C6
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
NE-CZ-NH2
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
O4'-C1'-N9
C5-C6-N1
O4'-C1'-N1
NE-CZ-NH1
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
N1-C6-N6
O4'-C1'-N9
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C2-O2
Z
7.77
-7.77
-7.77
7.76
7.76
-7.76
7.76
7.76
7.76
7.75
-7.75
-7.75
7.75
-7.75
-7.75
7.75
-7.74
-7.74
7.74
7.74
7.74
7.74
7.74
-7.74
7.74
7.74
-7.73
-7.73
-7.73
7.73
7.73
7.73
7.73
7.73
7.73
7.73
7.72
-7.72
-7.72
7.72
-7.72
7.72
4V74
Observed( ) Ideal( )
o
121.58
113.94
113.12
121.58
121.58
113.94
121.58
121.58
121.58
121.58
116.42
113.95
121.58
113.95
113.95
121.57
113.95
113.95
124.17
114.39
121.57
114.39
124.17
116.49
121.57
121.57
113.96
116.49
113.96
114.39
121.57
124.17
121.57
121.56
121.57
121.56
114.38
113.97
113.97
121.56
113.97
123.53
o
117.70
118.60
117.00
117.70
117.70
118.60
117.70
117.70
117.70
117.70
120.30
118.60
117.70
118.60
118.60
117.70
118.60
118.60
120.30
108.20
117.70
108.20
120.30
121.90
117.70
117.70
118.60
121.90
118.60
108.20
117.70
120.30
117.70
117.70
117.70
117.70
108.20
118.60
118.60
117.70
118.60
118.90
Continued on next page...
Page 65
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
55
21
54
54
54
54
54
54
54
54
21
21
54
21
54
21
24
30
54
54
22
54
54
54
54
21
21
54
54
54
54
21
54
54
54
21
21
25
54
11
BA
BA
BB
AA
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
BA
AA
BA
AA
A3
BH
BA
BA
A1
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
AA
BA
BA
BA
AA
AA
BC
BA
AL
1978
2005
57
1004
984
50
1090
2474
73
626
947
2130
366
609
1301
129
91
865
35
68
1046
1451
38
191
471
44
666
16
845
118
149
1165
382
274
878
492
1615
1225
1274
51
219
35
A
A
A
A
A
U
A
U
A
A
A
U
A
A
A
A
A
A
C
ARG
A
C
A
A
A
A
A
A
A
A
A
A
A
A
A
A
C
A
A
ARG
A
ARG
Atoms
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
N1-C6-N6
O4'-C1'-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
N3-C2-O2
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
O4'-C1'-N9
N1-C6-N6
N3-C2-O2
NE-CZ-NH1
N1-C6-N6
N3-C2-O2
C4-C5-C6
C5-C6-N1
N1-C6-N6
C4-C5-C6
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C4-C5-C6
N1-C6-N6
N1-C6-N6
N3-C2-O2
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
NE-CZ-NH1
Z
-7.72
7.72
7.72
7.72
7.72
7.72
-7.71
7.71
7.71
-7.71
7.71
-7.71
-7.71
-7.71
7.71
7.71
7.71
-7.71
-7.70
7.70
-7.70
-7.70
-7.70
7.70
-7.70
-7.70
-7.70
-7.69
7.69
7.69
-7.69
-7.69
7.69
-7.69
-7.69
-7.69
-7.69
-7.68
-7.68
7.68
-7.68
7.68
4V74
Observed( ) Ideal( )
o
113.97
121.56
121.56
121.56
121.56
114.37
113.97
114.37
121.56
113.14
121.56
116.80
113.97
113.97
121.55
121.55
114.36
113.98
116.51
124.15
113.98
116.51
113.15
121.55
113.98
113.15
113.98
113.98
121.55
121.55
113.98
113.98
121.55
113.16
113.99
113.99
116.52
113.99
113.99
124.14
113.99
124.14
o
118.60
117.70
117.70
117.70
117.70
108.20
118.60
108.20
117.70
117.00
117.70
122.20
118.60
118.60
117.70
117.70
108.20
118.60
121.90
120.30
118.60
121.90
117.00
117.70
118.60
117.00
118.60
118.60
117.70
117.70
118.60
118.60
117.70
117.00
118.60
118.60
121.90
118.60
118.60
120.30
118.60
120.30
Continued on next page...
Page 66
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
9
21
8
54
54
14
21
54
21
54
22
21
54
21
21
54
21
54
54
54
21
54
48
54
54
54
54
55
54
21
2
21
54
54
21
54
54
3
54
54
AA
BA
AJ
AA
AI
BA
BA
AO
AA
BA
AA
BA
A1
AA
BA
AA
AA
BA
AA
BA
BA
BA
AA
BA
BZ
BA
BA
BA
BA
BB
BA
AA
AC
AA
BA
BA
AA
BA
BA
AD
BA
BA
432
1590
16
982
122
216
2682
63
116
1395
720
2518
23
923
1321
44
487
1969
1229
1489
1991
2211
431
730
37
196
889
1213
2191
12
1342
946
163
1101
514
547
777
877
1927
183
2823
513
A
A
ARG
U
ARG
A
A
ARG
A
A
C
A
A
A
A
A
A
A
A
C
U
A
A
A
ARG
A
C
A
A
C
A
A
ARG
A
A
A
A
A
A
ARG
A
A
Atoms
C4-C5-C6
N1-C6-N6
NE-CZ-NH1
P-O3'-C3'
NE-CZ-NH2
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
N1-C6-N6
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
Z
-7.68
-7.68
7.68
7.68
7.68
7.68
-7.68
7.67
7.67
7.67
-7.67
7.67
7.67
7.67
-7.67
7.67
-7.67
-7.67
7.66
-7.66
7.66
7.66
7.66
7.66
7.66
7.66
-7.66
-7.66
7.66
-7.66
7.65
7.65
7.65
7.65
7.65
-7.65
7.65
7.65
-7.65
7.64
7.64
-7.64
4V74
Observed( ) Ideal( )
o
113.16
113.99
124.14
128.91
124.14
121.54
113.99
124.14
121.54
121.54
116.53
121.54
121.53
121.53
114.00
121.53
114.00
114.00
121.53
116.54
114.33
121.53
121.53
121.53
124.13
121.53
116.54
114.01
121.53
116.54
121.53
121.53
124.12
121.53
121.52
114.01
121.52
121.52
114.01
124.12
121.52
114.01
o
117.00
118.60
120.30
119.70
120.30
117.70
118.60
120.30
117.70
117.70
121.90
117.70
117.70
117.70
118.60
117.70
118.60
118.60
117.70
121.90
108.20
117.70
117.70
117.70
120.30
117.70
121.90
118.60
117.70
121.90
117.70
117.70
120.30
117.70
117.70
118.60
117.70
117.70
118.60
120.30
117.70
118.60
Continued on next page...
Page 67
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
54
54
54
54
54
54
54
21
24
28
53
21
54
21
54
54
21
21
21
21
21
21
21
54
54
21
54
54
54
54
54
27
54
54
54
6
54
54
21
54
BA
AA
BA
BA
BA
BA
BA
BA
BA
AA
A3
BF
B4
AA
BA
AA
BA
BA
AA
AA
AA
AA
AA
AA
AA
BA
BA
AA
BA
BA
BA
BA
BA
BE
BA
BA
BA
AG
BA
BA
AA
BA
2814
978
346
2439
139
532
2059
181
2266
381
73
29
24
501
223
1363
374
753
790
961
1000
1236
89
747
1016
1008
1268
325
429
435
988
1705
2003
114
423
1022
2577
101
1129
2101
109
95
A
A
A
A
U
A
A
A
A
C
A
ARG
ARG
C
A
A
A
A
A
U
A
A
U
A
A
A
A
A
A
C
A
A
A
ARG
A
G
A
ARG
A
A
A
A
Atoms
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
NE-CZ-NH1
NE-CZ-NH1
N3-C2-O2
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
O4'-C1'-N9
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C1'-O4'-C4'
N1-C6-N6
Z
7.64
-7.64
7.64
7.64
7.64
-7.63
7.63
7.63
7.63
-7.63
7.63
7.63
7.63
-7.63
-7.63
7.62
-7.62
7.62
7.62
7.62
7.62
7.62
7.62
7.62
7.62
-7.62
7.62
7.61
7.61
-7.61
7.61
7.61
7.61
7.61
-7.61
7.61
7.61
7.61
7.61
-7.61
-7.61
-7.61
4V74
Observed( ) Ideal( )
o
121.52
113.18
121.52
121.52
114.31
114.02
121.52
121.52
121.52
116.56
121.51
124.11
124.11
116.56
114.02
121.51
114.03
121.51
121.51
114.30
121.51
121.51
114.30
121.51
121.51
114.03
121.51
121.51
121.51
116.57
121.51
121.51
121.51
124.11
114.03
114.29
121.51
124.11
121.50
114.03
103.82
114.04
o
117.70
117.00
117.70
117.70
108.20
118.60
117.70
117.70
117.70
121.90
117.70
120.30
120.30
121.90
118.60
117.70
118.60
117.70
117.70
108.20
117.70
117.70
108.20
117.70
117.70
118.60
117.70
117.70
117.70
121.90
117.70
117.70
117.70
120.30
118.60
108.20
117.70
120.30
117.70
118.60
109.90
118.60
Continued on next page...
Page 68
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
21
54
21
21
54
54
21
54
54
55
55
54
54
54
21
54
54
54
54
21
22
54
21
54
54
21
54
54
54
21
21
21
54
9
54
54
54
54
54
BA
BA
BA
AA
BA
AA
AA
BA
BA
AA
BA
BA
BB
BB
BA
BA
BA
AA
BA
BA
BA
BA
AA
A1
BA
AA
BA
BA
AA
BA
BA
BA
AA
AA
AA
BA
AJ
BA
BA
BA
BA
BA
2090
2394
2646
1394
1039
174
1492
2764
2766
205
179
1373
39
115
1147
142
428
696
1096
435
1711
1784
1519
38
1007
900
1630
1794
1433
1020
748
1211
344
498
608
2461
9
685
751
1265
1580
1872
A
C
C
A
A
A
A
A
A
A
C
A
A
A
A
A
A
A
A
C
A
A
A
A
C
A
A
A
A
A
G
C
A
A
A
A
ARG
A
A
A
A
A
Atoms
C5-C6-N1
N3-C2-O2
N1-C2-O2
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N3-C2-O2
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
C4-C5-C6
N1-C6-N6
O4'-C1'-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
N1-C6-N6
O4'-C1'-N9
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
O4'-C1'-N9
C5-C6-N1
C5-C6-N1
C5-C6-N1
Z
7.61
-7.60
7.60
7.60
-7.60
7.60
7.60
-7.60
7.60
7.60
-7.60
-7.60
7.60
-7.60
7.60
-7.59
7.59
-7.59
-7.59
7.59
-7.59
7.59
7.58
7.58
-7.58
7.58
-7.58
7.58
7.58
-7.58
7.58
-7.58
7.58
7.58
-7.58
7.58
7.57
-7.57
7.57
7.57
7.57
7.57
4V74
Observed( ) Ideal( )
o
121.50
116.58
123.46
121.50
114.04
121.50
121.50
114.04
121.50
121.50
116.58
114.04
121.50
114.04
121.50
114.04
121.50
113.20
114.04
114.27
114.05
121.49
121.49
121.49
116.59
121.49
113.21
121.49
121.49
114.05
114.26
116.59
121.49
121.49
114.06
121.49
124.09
114.06
114.26
121.48
121.49
121.48
o
117.70
121.90
118.90
117.70
118.60
117.70
117.70
118.60
117.70
117.70
121.90
118.60
117.70
118.60
117.70
118.60
117.70
117.00
118.60
108.20
118.60
117.70
117.70
117.70
121.90
117.70
117.00
117.70
117.70
118.60
108.20
121.90
117.70
117.70
118.60
117.70
120.30
118.60
108.20
117.70
117.70
117.70
Continued on next page...
Page 69
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
54
54
54
21
54
21
54
21
54
54
54
54
54
54
54
21
54
54
2
21
21
21
21
22
54
54
54
54
22
24
21
28
54
54
54
54
54
21
54
BA
AA
AA
BA
BA
BA
AA
BA
AA
BA
AA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
AC
AA
AA
AA
AA
A1
BA
BA
BA
BA
A1
A3
AA
BF
BA
BA
BA
BA
BA
AA
BA
2117
7
80
1528
1630
1383
279
2158
280
457
1503
371
1549
2119
2451
74
2314
2284
549
1384
2741
168
1269
706
1145
1480
26
119
1352
2117
2542
21
74
574
149
1127
401
677
2627
28
1468
2060
A
A
A
A
A
A
A
A
C
A
A
A
A
A
A
A
A
A
C
A
A
ARG
A
A
A
A
A
A
U
A
A
A
A
A
ARG
A
A
A
G
A
A
A
Atoms
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
O4'-C1'-N9
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
N1-C6-N6
C4-C5-C6
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C4-C5-C6
C1'-O4'-C4'
N1-C6-N6
C5-C6-N1
C5-C6-N1
Z
-7.57
7.57
7.57
-7.57
7.57
7.56
7.56
-7.56
-7.56
7.56
7.56
-7.56
-7.56
-7.56
-7.56
7.55
7.55
-7.55
-7.55
7.55
7.55
7.55
-7.55
7.55
7.54
-7.54
7.54
7.54
-7.54
7.54
7.54
-7.54
7.54
7.54
7.54
7.54
-7.53
-7.53
-7.53
-7.53
7.53
7.53
4V74
Observed( ) Ideal( )
o
114.06
121.48
121.48
114.06
121.48
114.25
121.48
113.22
116.61
121.48
121.48
114.06
114.06
114.06
113.22
121.48
121.48
114.07
116.61
121.47
121.47
124.07
114.07
121.47
121.47
113.23
121.47
121.47
116.92
121.47
121.47
114.08
121.47
121.47
124.07
121.47
114.08
113.23
103.87
114.08
121.47
121.46
o
118.60
117.70
117.70
118.60
117.70
108.20
117.70
117.00
121.90
117.70
117.70
118.60
118.60
118.60
117.00
117.70
117.70
118.60
121.90
117.70
117.70
120.30
118.60
117.70
117.70
117.00
117.70
117.70
122.20
117.70
117.70
118.60
117.70
117.70
120.30
117.70
118.60
117.00
109.90
118.60
117.70
117.70
Continued on next page...
Page 70
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
21
24
54
54
54
54
54
54
54
54
21
21
35
21
54
54
21
21
54
54
54
21
44
54
54
54
8
21
21
30
21
54
21
21
21
54
6
21
21
24
AA
AA
AA
A3
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
BM
AA
BA
BA
AA
AA
BA
BA
BA
AA
BV
BA
BA
BA
AI
AA
AA
BH
AA
BA
AA
AA
AA
BA
AG
AA
AA
A3
174
1362
1102
44
196
2893
1679
613
391
1853
199
2392
665
1476
81
1226
505
892
130
151
1786
2411
2721
509
19
527
538
157
118
263
1518
97
782
1580
320
909
1054
2611
77
1019
1163
38
A
A
A
A
A
A
A
A
A
A
A
A
A
A
ARG
C
A
A
A
A
A
A
A
A
ARG
C
A
C
ARG
A
A
ARG
A
A
A
A
C
C
ARG
A
A
A
Atoms
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
O4'-C1'-N9
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
NE-CZ-NH2
N3-C2-O2
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
N1-C6-N6
O4'-C1'-N1
NE-CZ-NH1
C5-C6-N1
C4-C5-C6
NE-CZ-NH1
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
C5-C6-N1
Z
-7.53
7.53
-7.53
7.53
-7.53
7.53
7.52
7.52
7.52
7.52
7.52
-7.52
7.51
7.51
7.51
-7.51
-7.51
-7.51
7.51
7.51
-7.51
-7.51
7.51
7.51
7.51
-7.51
-7.50
7.50
7.50
7.50
-7.50
7.50
7.50
-7.50
7.50
7.50
-7.50
-7.50
7.49
-7.49
7.49
7.49
4V74
Observed( ) Ideal( )
o
114.08
121.46
114.08
121.46
114.08
121.46
121.46
114.22
121.46
121.46
121.46
114.09
121.46
121.46
124.06
116.64
114.09
114.09
121.45
121.45
114.09
114.09
121.45
121.45
124.05
116.65
114.10
114.20
124.05
121.45
113.25
124.05
121.45
113.25
121.45
121.45
116.65
116.65
124.05
113.25
121.45
121.45
o
118.60
117.70
118.60
117.70
118.60
117.70
117.70
108.20
117.70
117.70
117.70
118.60
117.70
117.70
120.30
121.90
118.60
118.60
117.70
117.70
118.60
118.60
117.70
117.70
120.30
121.90
118.60
108.20
120.30
117.70
117.00
120.30
117.70
117.00
117.70
117.70
121.90
121.90
120.30
117.00
117.70
117.70
Continued on next page...
Page 71
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
22
54
21
54
54
54
54
54
54
21
21
54
54
54
54
54
54
54
54
54
21
54
54
21
22
35
54
54
54
54
21
54
54
12
54
54
54
54
54
21
26
BA
A1
BA
AA
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
AA
A1
BM
BA
BA
BA
BA
AA
BA
BA
AM
BA
BA
BA
BA
BA
AA
BD
1967
56
572
282
1134
563
654
1244
927
2733
313
983
503
1496
1000
1353
2126
2270
941
2288
631
546
163
1090
946
14
66
1194
947
1005
1544
8
1938
2328
78
739
229
1933
1952
2666
110
169
C
C
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
C
A
A
A
ARG
A
A
C
A
A
A
A
ARG
A
C
G
A
C
C
ARG
Atoms
N3-C2-O2
N3-C2-O2
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
N1-C6-N6
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
N3-C2-O2
O4'-C1'-N9
C5-C6-N1
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
Z
-7.49
-7.49
7.49
-7.49
7.49
7.49
-7.49
7.49
7.48
7.48
-7.48
-7.48
7.48
-7.48
7.47
7.47
-7.47
-7.47
7.47
7.47
7.47
7.47
-7.47
7.47
-7.47
-7.47
7.47
7.47
-7.46
-7.46
7.46
7.46
-7.46
7.46
7.46
-7.46
-7.45
7.45
7.45
-7.45
-7.45
7.45
4V74
Observed( ) Ideal( )
o
116.65
116.66
121.45
114.11
121.44
121.44
113.26
121.44
121.44
121.44
113.26
114.11
121.44
113.26
121.44
121.44
114.11
114.12
121.44
121.44
121.44
121.43
116.67
121.44
114.12
114.12
124.03
121.43
113.27
116.67
121.43
121.43
114.12
121.43
124.03
114.13
116.68
114.16
121.43
116.68
116.69
124.03
o
121.90
121.90
117.70
118.60
117.70
117.70
117.00
117.70
117.70
117.70
117.00
118.60
117.70
117.00
117.70
117.70
118.60
118.60
117.70
117.70
117.70
117.70
121.90
117.70
118.60
118.60
120.30
117.70
117.00
121.90
117.70
117.70
118.60
117.70
120.30
118.60
121.90
108.20
117.70
121.90
121.90
120.30
Continued on next page...
Page 72
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
9
21
21
21
54
21
54
5
15
21
21
29
54
21
54
54
54
54
54
54
54
54
21
54
21
21
21
54
21
21
21
34
54
54
54
54
54
21
54
54
21
BA
AJ
AA
AA
AA
BA
AA
BA
AF
AP
AA
AA
BG
BA
AA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
AA
AA
AA
BA
AA
AA
AA
BL
BA
BA
BA
BA
BA
AA
BA
BA
AA
2052
72
1005
1362
1447
998
1534
362
86
51
523
1200
68
104
1137
918
1021
1142
1735
2499
2503
613
2388
819
2900
831
131
214
2183
430
814
938
41
460
2407
2516
899
2856
864
1582
1722
55
A
ARG
A
A
A
C
A
A
ARG
ARG
A
C
ARG
A
C
A
A
A
A
C
A
A
A
A
A
A
A
C
A
A
A
A
ARG
A
A
A
A
A
A
C
A
A
Atoms
C4-C5-C6
NE-CZ-NH2
C5-C6-N1
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
N1-C6-N6
C4-C5-C6
N3-C2-O2
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
Z
-7.45
-7.45
7.45
-7.45
7.45
-7.45
7.45
-7.45
7.45
7.45
7.45
-7.45
7.45
-7.45
-7.44
7.44
7.44
7.44
7.44
-7.44
7.44
7.44
7.44
-7.44
7.44
-7.43
-7.43
-7.43
7.43
-7.43
7.43
-7.43
-7.43
7.43
-7.43
7.43
7.43
7.43
7.43
-7.43
7.43
-7.42
4V74
Observed( ) Ideal( )
o
113.28
116.58
121.42
113.28
121.42
116.69
121.42
114.13
124.02
124.02
121.42
116.69
124.02
114.13
116.69
121.42
121.42
121.42
121.42
116.69
121.42
121.42
121.42
113.28
121.42
114.14
113.28
116.70
121.42
114.14
121.42
114.14
116.59
121.42
114.14
121.42
121.41
121.41
121.41
116.70
121.41
113.29
o
117.00
120.30
117.70
117.00
117.70
121.90
117.70
118.60
120.30
120.30
117.70
121.90
120.30
118.60
121.90
117.70
117.70
117.70
117.70
121.90
117.70
117.70
117.70
117.00
117.70
118.60
117.00
121.90
117.70
118.60
117.70
118.60
120.30
117.70
118.60
117.70
117.70
117.70
117.70
121.90
117.70
117.00
Continued on next page...
Page 73
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
21
54
54
54
54
54
54
21
54
54
21
23
55
16
25
33
54
21
54
33
3
18
21
21
21
54
54
54
21
54
54
54
21
21
21
54
54
54
54
21
AA
AA
AA
BA
BA
BA
BA
BA
BA
AA
BA
BA
AA
A2
BB
AQ
BC
BK
BA
AA
BA
BK
AD
AS
AA
AA
AA
BA
BA
BA
AA
BA
BA
BA
AA
AA
AA
BA
BA
BA
BA
AA
414
1111
1513
730
222
347
1204
1460
1900
743
152
776
969
80
52
26
132
30
2199
535
2311
64
13
35
51
635
1239
571
1962
1241
718
2711
2765
2809
119
460
640
1085
2009
2887
2317
81
A
A
A
A
A
A
A
U
A
A
A
G
A
C
A
ARG
ARG
ARG
A
A
A
ARG
ARG
ARG
A
A
A
U
C
A
A
A
A
A
A
A
A
A
A
A
A
A
Atoms
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
N1-C6-N6
N1-C6-N6
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
N3-C2-N2
C5-C6-N1
P-O3'-C3'
C5-C6-N1
NE-CZ-NH1
NE-CZ-NH2
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
NE-CZ-NH1
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
Z
7.42
7.42
-7.42
-7.42
7.42
-7.42
-7.42
7.42
7.42
7.42
-7.42
-7.42
7.42
7.42
7.42
7.42
-7.42
7.42
-7.42
7.41
7.41
7.41
7.41
7.41
7.41
-7.41
7.41
7.41
-7.41
7.41
7.41
7.41
7.41
7.41
-7.41
-7.41
7.41
7.41
-7.41
7.41
-7.40
7.40
4V74
Observed( ) Ideal( )
o
121.41
121.41
114.15
114.15
121.41
114.15
114.15
114.14
121.41
121.41
113.29
114.71
121.41
128.60
121.41
124.01
116.59
124.01
113.29
121.41
121.41
124.01
124.00
124.00
121.41
114.15
121.41
114.13
116.71
121.40
121.40
121.40
121.40
121.40
114.16
114.16
121.40
121.40
114.16
121.40
114.16
121.40
o
117.70
117.70
118.60
118.60
117.70
118.60
118.60
108.20
117.70
117.70
117.00
119.90
117.70
119.70
117.70
120.30
120.30
120.30
117.00
117.70
117.70
120.30
120.30
120.30
117.70
118.60
117.70
108.20
121.90
117.70
117.70
117.70
117.70
117.70
118.60
118.60
117.70
117.70
118.60
117.70
118.60
117.70
Continued on next page...
Page 74
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
54
54
21
54
54
54
55
21
54
54
21
22
54
21
21
21
54
21
54
21
21
54
54
54
54
54
21
21
54
54
54
54
54
6
54
54
54
54
53
AA
BA
BA
BA
BA
AA
BA
BA
BA
BB
AA
BA
BA
AA
A1
BA
AA
AA
AA
BA
AA
BA
AA
AA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
AG
BA
BA
BA
BA
B4
459
1809
2213
2586
513
573
103
2610
2639
104
808
180
2602
1105
9
602
78
532
630
1545
98
529
702
1360
2497
1655
1151
221
217
19
461
1502
505
546
1754
2426
118
1151
2251
1515
1815
12
A
A
U
U
A
A
A
C
A
A
C
G
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
U
A
A
ARG
A
G
A
A
ARG
Atoms
C5-C6-N1
N1-C6-N6
O4'-C1'-N1
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
N1-C6-N6
N3-C2-O2
O4'-C1'-N9
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C4-C5-C6
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
O4'-C1'-N9
C5-C6-N1
C4-C5-C6
NE-CZ-NH1
Z
7.40
-7.40
7.40
7.40
7.40
7.40
7.40
-7.40
-7.40
-7.40
-7.40
7.40
7.40
7.39
7.39
7.39
7.39
7.39
7.39
-7.39
7.39
-7.39
7.39
7.39
7.39
-7.38
7.38
7.38
7.38
7.38
7.38
-7.38
-7.38
7.38
-7.38
-7.38
7.38
-7.38
7.38
7.37
-7.37
7.37
4V74
Observed( ) Ideal( )
o
121.40
114.16
114.12
114.12
121.40
121.40
121.40
116.72
113.30
114.16
116.72
114.12
121.40
121.40
121.40
121.40
121.39
121.39
121.39
114.17
121.39
114.17
121.39
121.39
121.39
114.17
121.39
121.39
121.39
121.39
121.39
114.17
113.31
114.10
114.17
114.17
123.99
114.17
114.10
121.39
113.31
123.99
o
117.70
118.60
108.20
108.20
117.70
117.70
117.70
121.90
117.00
118.60
121.90
108.20
117.70
117.70
117.70
117.70
117.70
117.70
117.70
118.60
117.70
118.60
117.70
117.70
117.70
118.60
117.70
117.70
117.70
117.70
117.70
118.60
117.00
108.20
118.60
118.60
120.30
118.60
108.20
117.70
117.00
120.30
Continued on next page...
Page 75
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
6
54
21
54
21
21
54
54
54
21
21
54
54
54
54
54
54
54
3
21
54
54
21
24
32
54
54
54
54
54
17
21
54
21
54
54
54
54
BA
BA
BA
BA
AG
BA
AA
BA
AA
AA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
BA
AD
AA
BA
BA
AA
A3
BJ
BA
BA
BA
BA
BA
AR
AA
BA
AA
BA
BA
BA
BA
144
1652
1689
2847
137
1590
1167
796
373
1333
740
2134
2501
499
975
2449
2799
2858
515
2042
1912
2453
127
412
1701
2052
415
58
34
156
1395
1553
1717
2856
62
860
1320
819
1403
1433
2062
2883
A
A
A
U
ARG
A
A
C
A
A
C
A
C
A
A
U
A
C
A
A
A
A
ARG
A
A
A
A
A
ARG
A
A
A
A
A
ARG
A
C
A
A
A
A
A
Atoms
C5-C6-N1
O4'-C1'-N9
N1-C6-N6
O4'-C1'-N1
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
N1-C6-N6
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
O4'-C1'-N9
C5-C6-N1
C5-C6-N1
Z
7.37
7.37
-7.37
7.37
7.37
7.37
7.37
-7.37
7.37
7.37
-7.37
-7.37
-7.37
-7.36
7.36
7.36
7.36
-7.36
7.36
7.36
7.36
7.36
7.36
7.36
7.36
7.36
7.35
7.35
7.35
7.35
-7.35
7.35
7.35
-7.35
7.35
-7.35
7.35
7.34
7.34
7.34
7.34
7.34
4V74
Observed( ) Ideal( )
o
121.39
114.10
114.18
114.10
123.98
121.39
121.38
116.74
121.38
121.38
116.74
113.32
116.74
114.18
121.38
114.09
121.38
116.75
121.38
121.38
121.38
121.38
123.98
121.38
121.38
121.38
121.38
121.38
123.98
121.38
114.19
121.38
121.38
114.19
123.97
114.19
114.08
121.37
121.37
114.08
121.37
121.37
o
117.70
108.20
118.60
108.20
120.30
117.70
117.70
121.90
117.70
117.70
121.90
117.00
121.90
118.60
117.70
108.20
117.70
121.90
117.70
117.70
117.70
117.70
120.30
117.70
117.70
117.70
117.70
117.70
120.30
117.70
118.60
117.70
117.70
118.60
120.30
118.60
108.20
117.70
117.70
108.20
117.70
117.70
Continued on next page...
Page 76
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
24
54
54
54
21
54
54
54
54
54
54
54
21
54
54
21
54
54
14
21
54
54
54
53
54
54
54
54
21
54
54
54
54
54
21
54
54
54
54
54
AA
BA
A3
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
AA
BA
BA
AO
AA
BA
BA
BA
B4
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
913
207
59
2310
2378
28
1280
706
1079
2019
756
1088
2097
2169
1394
143
800
364
878
2551
16
152
197
2054
2340
19
443
1001
1322
2639
235
516
1069
2147
2670
603
1067
1048
1070
1531
255
1204
A
A
A
C
A
A
A
A
C
A
A
A
A
A
A
C
A
A
A
C
ARG
A
A
A
A
ARG
A
A
A
A
C
C
A
A
A
A
A
A
A
C
A
A
Atoms
C4-C5-C6
C5-C6-N1
N1-C6-N6
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
O4'-C1'-N9
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
C4-C5-C6
C5-C6-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N3-C2-O2
N1-C6-N6
O4'-C1'-N9
Z
-7.34
7.34
-7.34
7.34
7.34
7.34
7.34
-7.34
-7.34
7.34
7.33
-7.33
-7.33
7.33
-7.33
-7.33
-7.33
7.33
7.33
-7.33
7.33
-7.33
7.33
7.33
7.33
7.33
-7.33
-7.33
7.33
7.33
-7.32
-7.32
-7.32
7.32
7.32
7.32
7.32
-7.32
7.32
-7.32
-7.32
7.32
4V74
Observed( ) Ideal( )
o
113.33
121.37
114.20
114.07
121.37
121.37
114.07
114.20
116.77
121.37
121.37
114.20
113.33
121.37
113.33
116.77
113.33
121.36
121.36
116.77
123.96
113.34
121.36
121.36
121.36
123.96
114.20
114.20
121.36
121.36
116.77
116.77
113.34
121.36
121.36
121.36
121.36
114.21
121.36
116.78
114.21
114.06
o
117.00
117.70
118.60
108.20
117.70
117.70
108.20
118.60
121.90
117.70
117.70
118.60
117.00
117.70
117.00
121.90
117.00
117.70
117.70
121.90
120.30
117.00
117.70
117.70
117.70
120.30
118.60
118.60
117.70
117.70
121.90
121.90
117.00
117.70
117.70
117.70
117.70
118.60
117.70
121.90
118.60
108.20
Continued on next page...
Page 77
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
21
54
54
54
54
21
54
21
54
54
54
54
54
54
54
5
21
54
54
54
54
54
54
37
54
21
54
21
21
54
54
21
21
54
20
54
54
54
54
21
AA
AA
AA
BA
BA
BA
BA
AA
BA
AA
BA
BA
BA
BA
BA
BA
BA
AF
AA
BA
BA
BA
BA
BA
BA
BO
BA
AA
BA
AA
AA
BA
BA
AA
AA
BA
AU
BA
BA
BA
BA
AA
473
784
915
69
311
789
2212
807
1848
1219
1000
1175
402
541
721
2459
2725
44
1196
608
1246
1569
1815
721
2476
81
2114
1014
829
441
1346
34
1143
1251
1507
1398
44
1532
2298
2358
2667
892
U
A
A
C
A
A
A
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
ARG
A
A
A
A
A
U
A
A
A
C
ARG
A
A
A
C
A
Atoms
P-O3'-C3'
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C4-C5-C6
N3-C2-O2
C5-C6-N1
Z
7.32
-7.32
7.32
-7.32
7.32
7.32
7.32
7.31
7.31
-7.31
-7.31
7.31
7.31
7.31
-7.31
7.31
7.31
7.31
7.31
7.31
7.31
7.30
7.30
7.30
7.30
7.30
-7.30
-7.30
7.30
7.30
7.30
7.30
7.30
7.29
7.29
-7.29
7.29
7.29
-7.29
-7.29
-7.29
7.29
4V74
Observed( ) Ideal( )
o
128.48
113.34
121.36
116.78
121.36
121.36
121.36
121.36
121.36
113.34
113.34
121.36
121.36
121.36
114.22
121.36
121.36
123.95
121.35
121.35
121.35
121.35
121.35
121.35
121.35
123.95
114.22
113.35
121.35
121.35
121.35
114.04
121.35
121.35
121.35
116.79
123.95
121.35
114.22
113.35
116.80
121.35
o
119.70
117.00
117.70
121.90
117.70
117.70
117.70
117.70
117.70
117.00
117.00
117.70
117.70
117.70
118.60
117.70
117.70
120.30
117.70
117.70
117.70
117.70
117.70
117.70
117.70
120.30
118.60
117.00
117.70
117.70
117.70
108.20
117.70
117.70
117.70
121.90
120.30
117.70
118.60
117.00
121.90
117.70
Continued on next page...
Page 78
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
7
54
54
21
21
54
21
54
54
54
54
21
54
54
54
54
54
54
21
54
54
54
45
54
21
54
12
54
54
54
54
3
54
22
36
54
54
21
54
BA
BA
BA
AH
BA
BA
AA
AA
BA
AA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BW
BA
AA
BA
AM
BA
BA
BA
BA
AD
BA
A1
BN
BA
BA
AA
BA
1378
1801
2322
113
2030
2899
1180
1431
896
978
2439
1470
2721
582
1254
1322
1481
1505
1918
590
750
1375
1775
155
890
54
654
919
613
92
324
775
1938
2749
12
19
35
86
1690
2108
958
1597
A
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
A
U
A
A
A
A
A
U
A
C
ARG
A
A
A
ARG
A
G
A
A
ARG
A
A
ARG
A
A
A
A
Atoms
C5-C6-N1
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C4-C5-C6
N1-C6-N6
C4-C5-C6
N1-C6-N6
O4'-C1'-N1
C5-C6-N1
C4-C5-C6
N1-C6-N6
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
N1-C6-N6
N3-C2-O2
NE-CZ-NH2
C5-C6-N1
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N9
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
Z
7.29
-7.29
-7.29
7.29
7.29
7.29
7.29
7.29
7.29
7.29
-7.29
7.28
-7.28
-7.28
-7.28
-7.28
7.28
7.28
-7.28
-7.28
7.28
7.28
7.28
-7.27
-7.27
7.27
7.27
7.27
-7.27
7.27
7.27
7.27
7.27
7.27
7.27
-7.27
7.26
7.26
7.26
7.26
7.26
7.26
4V74
Observed( ) Ideal( )
o
121.35
114.22
114.22
123.94
121.34
121.34
121.34
121.34
121.34
121.34
114.23
121.34
113.36
114.23
113.36
114.23
114.02
121.34
113.36
114.23
121.34
121.34
114.02
114.24
116.81
123.94
121.34
121.34
114.24
123.94
121.33
114.02
121.33
121.33
123.93
114.24
121.33
123.93
121.33
121.33
121.33
121.33
o
117.70
118.60
118.60
120.30
117.70
117.70
117.70
117.70
117.70
117.70
118.60
117.70
117.00
118.60
117.00
118.60
108.20
117.70
117.00
118.60
117.70
117.70
108.20
118.60
121.90
120.30
117.70
117.70
118.60
120.30
117.70
108.20
117.70
117.70
120.30
118.60
117.70
120.30
117.70
117.70
117.70
117.70
Continued on next page...
Page 79
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
55
21
21
54
54
54
21
21
22
54
21
21
54
21
21
26
54
54
21
54
54
10
54
54
25
54
54
54
54
54
54
54
21
54
54
54
54
54
54
21
54
54
BB
AA
AA
BA
BA
BA
AA
AA
A1
BA
AA
AA
BA
AA
AA
BD
BA
BA
AA
BA
BA
AK
BA
BA
BC
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AA
BA
BA
109
511
243
472
866
83
181
411
69
1885
510
1500
1472
1413
650
128
2412
2565
1021
2070
2430
121
675
1789
257
979
1469
1596
2660
845
637
1586
161
2020
627
749
1428
1549
2893
873
310
1894
A
C
A
A
A
A
A
A
A
A
A
A
C
A
G
ARG
A
A
A
A
A
ARG
A
A
ARG
A
A
A
A
A
A
A
A
A
A
A
C
A
A
A
A
C
Atoms
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
N3-C2-O2
N1-C6-N6
N3-C2-N2
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C1'-O4'-C4'
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
O4'-C1'-N1
Z
-7.26
-7.26
7.26
7.26
-7.26
7.25
7.25
7.25
7.25
7.25
7.25
-7.25
-7.25
-7.25
-7.25
7.25
7.25
7.25
7.25
-7.25
7.25
7.24
7.24
7.24
7.24
7.24
7.24
-7.24
7.24
-7.24
7.24
7.24
7.23
-7.23
7.23
7.23
-7.23
7.23
-7.23
7.23
-7.23
7.23
4V74
Observed( ) Ideal( )
o
113.37
116.82
121.33
121.33
114.25
121.33
121.33
121.33
121.33
121.33
121.33
113.38
116.82
114.25
114.83
123.92
121.32
121.32
121.32
113.38
121.32
123.92
121.32
121.32
123.92
121.32
121.32
114.26
121.32
113.38
121.32
121.32
121.32
104.11
121.31
121.31
116.84
121.31
114.26
121.31
114.26
113.98
o
117.00
121.90
117.70
117.70
118.60
117.70
117.70
117.70
117.70
117.70
117.70
117.00
121.90
118.60
119.90
120.30
117.70
117.70
117.70
117.00
117.70
120.30
117.70
117.70
120.30
117.70
117.70
118.60
117.70
117.00
117.70
117.70
117.70
109.90
117.70
117.70
121.90
117.70
118.60
117.70
118.60
108.20
Continued on next page...
Page 80
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
12
21
21
51
54
21
21
54
54
54
54
21
21
54
54
55
21
39
54
54
54
54
21
21
54
54
54
54
21
21
28
54
54
54
21
21
54
54
54
54
21
BA
AM
AA
AA
B2
BA
AA
AA
BA
BA
BA
BA
AA
AA
BA
BA
BB
AA
BQ
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
AA
AA
BF
BA
BA
BA
AA
AA
BA
BA
BA
BA
AA
2482
28
695
1140
28
522
1377
1469
480
1103
1655
1936
315
949
1848
2434
73
622
10
279
53
1609
149
780
938
311
1254
2014
2422
739
1014
132
490
899
5
228
1035
371
886
1970
2829
1246
A
ARG
A
C
ARG
A
A
C
A
A
A
A
A
A
A
A
A
A
ARG
A
A
A
A
A
A
A
A
A
C
C
A
ARG
C
A
A
A
A
A
A
A
A
A
Atoms
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C4-C5-C6
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N3-C2-O2
N3-C2-O2
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C4-C5-C6
Z
7.23
7.23
7.23
-7.23
7.23
-7.23
7.23
-7.23
7.22
-7.22
7.22
7.22
7.22
7.22
-7.22
-7.22
7.22
7.22
7.22
-7.22
7.22
-7.22
7.22
7.22
7.22
-7.22
7.22
7.22
-7.22
-7.21
7.21
7.21
-7.21
-7.21
7.21
7.21
7.21
7.21
-7.21
7.21
7.21
-7.21
4V74
Observed( ) Ideal( )
o
121.31
123.91
121.31
116.84
123.91
113.39
121.31
116.84
121.31
114.27
121.31
121.31
121.31
121.31
114.27
113.39
121.31
121.31
123.91
114.27
121.31
113.39
121.31
121.31
121.31
114.27
121.31
121.31
116.85
116.85
121.31
123.91
116.85
114.27
121.31
121.31
121.31
121.31
114.27
121.31
121.31
113.39
o
117.70
120.30
117.70
121.90
120.30
117.00
117.70
121.90
117.70
118.60
117.70
117.70
117.70
117.70
118.60
117.00
117.70
117.70
120.30
118.60
117.70
117.00
117.70
117.70
117.70
118.60
117.70
117.70
121.90
121.90
117.70
120.30
121.90
118.60
117.70
117.70
117.70
117.70
118.60
117.70
117.70
117.00
Continued on next page...
Page 81
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
2
4
21
54
54
54
21
21
54
54
21
54
21
54
5
54
54
54
21
23
54
54
54
54
54
54
21
21
54
54
54
21
54
54
8
21
54
54
54
21
21
BA
AC
AE
AA
BA
BA
BA
AA
AA
BA
BA
AA
BA
AA
BA
AF
BA
BA
BA
AA
A2
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
AA
BA
BA
AI
AA
BA
BA
BA
AA
AA
2810
130
156
1441
66
1634
2241
285
1352
420
572
754
792
1229
1427
79
104
1877
2142
1273
82
804
838
1295
1326
1610
2274
607
630
550
2003
2160
1430
142
2059
40
729
1434
1572
2478
370
1357
A
ARG
ARG
A
C
A
A
C
C
C
A
C
A
A
A
ARG
A
A
A
C
A
A
C
C
U
A
A
A
A
C
A
C
A
A
A
ARG
A
A
A
A
C
A
Atoms
C4-C5-C6
NE-CZ-NH1
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
N1-C6-N6
N3-C2-O2
C5-C6-N1
O4'-C1'-N9
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C4-C5-C6
N3-C2-O2
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
Z
-7.21
7.21
7.21
7.21
-7.21
7.21
-7.21
-7.21
-7.21
-7.21
-7.21
-7.21
7.20
7.20
7.20
7.20
7.20
-7.20
7.20
-7.20
7.20
7.20
-7.20
-7.20
7.20
7.20
7.20
-7.20
-7.20
-7.20
-7.20
-7.20
7.19
7.19
-7.19
7.19
-7.19
7.19
7.19
7.19
-7.19
7.19
4V74
Observed( ) Ideal( )
o
113.39
123.90
123.90
121.31
116.85
121.30
113.40
116.86
116.86
116.86
114.28
116.86
121.30
113.96
121.30
123.90
121.30
114.28
121.30
116.86
121.30
121.30
116.86
116.86
113.96
121.30
121.30
114.28
113.40
116.86
114.28
116.86
121.30
121.30
114.28
123.90
113.41
121.30
121.30
121.30
116.87
121.30
o
117.00
120.30
120.30
117.70
121.90
117.70
117.00
121.90
121.90
121.90
118.60
121.90
117.70
108.20
117.70
120.30
117.70
118.60
117.70
121.90
117.70
117.70
121.90
121.90
108.20
117.70
117.70
118.60
117.00
121.90
118.60
121.90
117.70
117.70
118.60
120.30
117.00
117.70
117.70
117.70
121.90
117.70
Continued on next page...
Page 82
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
54
54
54
54
54
54
21
56
54
21
21
54
54
54
21
54
21
21
21
54
21
21
54
54
54
21
21
54
54
54
21
21
21
21
54
21
54
54
21
21
AA
AA
BA
BA
BA
BA
BA
BA
AA
B5
BA
AA
AA
BA
BA
BA
AA
BA
AA
AA
AA
BA
AA
AA
BA
BA
BA
AA
AA
BA
BA
BA
AA
AA
AA
AA
BA
AA
BA
BA
AA
AA
90
397
272
344
401
901
2327
2809
162
122
1977
969
270
1340
1889
1899
1239
322
487
927
1349
14
536
1130
960
1013
2149
59
236
2376
2458
2682
199
363
1167
1502
2013
139
632
2080
306
624
C
A
A
A
A
C
A
A
A
ARG
A
A
A
U
A
A
A
A
A
G
A
A
C
A
A
C
U
A
A
A
G
A
A
A
A
A
A
A
A
A
A
C
Atoms
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N3-C2-O2
N1-C6-N6
O4'-C1'-N9
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
C4-C5-C6
N1-C6-N6
N3-C2-O2
C5-C6-N1
N1-C6-N6
C4-C5-C6
C5-C6-N1
C5-C6-N1
C1'-O4'-C4'
C5-C6-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
O4'-C1'-N9
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
N3-C2-O2
Z
-7.19
7.19
7.19
-7.19
7.19
-7.19
-7.19
7.19
7.18
7.18
-7.18
-7.18
-7.18
-7.18
7.18
-7.18
-7.18
7.18
7.18
-7.17
7.17
7.17
-7.17
-7.17
7.17
-7.17
7.17
7.17
7.17
7.17
7.17
7.17
7.17
7.17
-7.16
7.16
7.16
7.16
7.16
7.16
-7.16
-7.16
4V74
Observed( ) Ideal( )
o
116.87
121.29
121.29
114.29
121.29
116.87
114.29
113.95
121.29
123.89
114.29
113.41
114.29
117.17
121.29
114.29
113.41
121.29
121.29
104.16
121.29
121.29
116.88
113.41
121.28
116.88
113.94
121.28
121.28
121.28
113.94
121.28
121.28
121.28
114.30
121.28
121.28
121.28
121.28
121.28
113.42
116.89
o
121.90
117.70
117.70
118.60
117.70
121.90
118.60
108.20
117.70
120.30
118.60
117.00
118.60
122.20
117.70
118.60
117.00
117.70
117.70
109.90
117.70
117.70
121.90
117.00
117.70
121.90
108.20
117.70
117.70
117.70
108.20
117.70
117.70
117.70
118.60
117.70
117.70
117.70
117.70
117.70
117.00
121.90
Continued on next page...
Page 83
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
54
54
21
21
54
21
1
21
54
54
54
55
21
24
54
54
54
54
22
54
54
54
54
54
54
54
54
54
21
21
21
21
21
54
54
55
21
21
54
54
BA
AA
BA
BA
AA
AA
BA
AA
AB
AA
BA
BA
BA
BB
AA
A3
BA
BA
BA
BA
A1
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
AA
AA
AA
BA
BA
BB
AA
AA
BA
BA
877
675
2738
2872
306
322
1286
768
112
857
693
2054
2126
15
765
39
927
909
1528
2342
76
131
1156
1342
1551
1937
126
911
1694
1749
272
753
879
959
1285
197
2566
57
482
1111
1135
1598
A
A
A
A
A
C
A
A
ARG
C
A
A
A
A
G
A
A
A
A
C
A
A
A
A
A
A
A
A
C
A
C
A
C
A
A
A
A
A
A
A
C
A
Atoms
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
N1-C6-N6
NE-CZ-NH2
N3-C2-O2
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
O4'-C1'-N9
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
N1-C2-O2
N1-C6-N6
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
N3-C2-O2
N1-C6-N6
Z
-7.16
7.16
7.16
7.16
7.16
-7.16
7.16
-7.15
-7.15
-7.15
7.15
-7.15
7.15
7.15
7.15
7.15
-7.15
7.15
7.15
-7.15
7.15
7.15
7.15
-7.15
7.15
-7.15
7.15
7.15
7.15
-7.15
-7.14
7.14
-7.14
7.14
7.14
-7.14
7.14
-7.14
7.14
-7.14
-7.14
-7.14
4V74
Observed( ) Ideal( )
o
113.42
121.28
121.28
121.28
121.28
116.89
121.28
114.31
116.72
116.89
121.28
114.31
121.28
121.28
113.92
121.28
113.42
121.28
121.28
116.89
121.27
121.27
121.27
114.31
121.27
113.43
121.27
121.27
123.19
114.31
116.90
121.27
116.90
121.27
121.27
113.43
121.27
114.31
121.27
114.31
116.90
114.31
o
117.00
117.70
117.70
117.70
117.70
121.90
117.70
118.60
120.30
121.90
117.70
118.60
117.70
117.70
108.20
117.70
117.00
117.70
117.70
121.90
117.70
117.70
117.70
118.60
117.70
117.00
117.70
117.70
118.90
118.60
121.90
117.70
121.90
117.70
117.70
117.00
117.70
118.60
117.70
118.60
121.90
118.60
Continued on next page...
Page 84
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
45
54
54
54
21
54
54
54
21
21
21
21
54
21
46
21
44
54
54
22
28
54
54
54
54
54
54
54
21
54
21
21
21
54
21
21
54
21
21
BA
BA
AA
BW
BA
BA
BA
AA
BA
BA
BA
AA
AA
AA
AA
BA
AA
BX
AA
BV
BA
BA
A1
BF
BA
BA
BA
BA
BA
BA
BA
AA
BA
AA
AA
AA
BA
AA
AA
BA
AA
AA
1616
1785
190
38
985
1354
2813
608
89
2119
2263
1446
1465
559
802
2734
533
49
768
21
1327
2085
73
166
2776
2045
2541
2736
79
1607
1650
631
2377
435
1150
1408
2297
994
1155
1916
499
1299
A
A
A
ARG
C
A
A
A
A
A
C
A
A
A
A
A
A
ARG
A
ARG
A
U
A
ARG
A
C
A
A
C
C
A
C
A
A
A
A
A
A
A
A
A
A
Atoms
C5-C6-N1
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
N1-C6-N6
Z
7.14
-7.14
7.14
7.14
-7.14
7.14
7.14
7.14
7.14
7.14
-7.14
7.13
7.13
7.13
7.13
7.13
7.13
7.13
7.13
7.13
7.13
7.13
7.13
7.13
7.13
-7.12
-7.12
7.12
-7.12
7.12
7.12
-7.12
7.12
7.12
7.12
7.12
7.12
7.12
7.12
-7.12
7.12
-7.12
4V74
Observed( ) Ideal( )
o
121.27
114.31
121.27
123.87
116.90
121.27
121.27
121.27
121.27
121.27
116.91
121.27
121.27
121.27
121.27
121.27
121.27
123.86
121.26
123.86
121.27
113.90
121.26
123.86
121.26
116.91
113.44
121.26
116.91
113.90
121.26
116.92
121.26
121.26
121.26
121.26
121.26
121.26
121.26
113.44
121.26
114.33
o
117.70
118.60
117.70
120.30
121.90
117.70
117.70
117.70
117.70
117.70
121.90
117.70
117.70
117.70
117.70
117.70
117.70
120.30
117.70
120.30
117.70
108.20
117.70
120.30
117.70
121.90
117.00
117.70
121.90
108.20
117.70
121.90
117.70
117.70
117.70
117.70
117.70
117.70
117.70
117.00
117.70
118.60
Continued on next page...
Page 85
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
54
21
21
54
54
54
54
54
54
33
54
54
54
11
21
54
54
54
54
54
54
54
54
54
21
21
21
54
54
21
21
54
54
54
54
21
21
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
BK
BA
BA
BA
AL
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
AA
BA
BA
AA
AA
BA
BA
BA
BA
AA
AA
160
866
982
1626
1794
2716
109
315
632
2311
2336
2058
1672
2679
108
1146
920
1086
82
1398
531
715
575
2134
816
1275
2531
2434
2727
177
217
802
429
1155
866
1093
449
2814
203
2227
55
746
A
A
C
A
A
C
A
A
A
A
A
A
A
A
ARG
C
A
A
ARG
A
C
A
A
A
C
A
A
A
A
G
C
A
A
A
C
A
A
A
A
A
A
A
Atoms
C5-C6-N1
C5-C6-N1
N1-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
C4-C5-C6
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
N3-C2-O2
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
O4'-C1'-N9
N3-C2-O2
N1-C6-N6
C4-C5-C6
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
Z
7.12
7.12
7.12
7.12
-7.12
-7.12
7.11
-7.11
-7.11
-7.11
7.11
7.11
7.11
-7.11
7.11
-7.11
7.11
7.11
7.10
7.10
-7.10
7.10
-7.10
7.10
-7.10
7.10
7.10
7.10
7.10
7.10
-7.10
-7.10
-7.10
-7.10
-7.09
7.09
7.09
-7.09
7.09
7.09
7.09
7.09
4V74
Observed( ) Ideal( )
o
121.26
121.26
123.17
121.26
113.44
116.92
121.26
113.44
114.33
114.33
121.26
121.26
121.25
114.33
123.86
116.92
121.25
121.25
123.85
121.25
116.93
121.25
113.45
121.25
116.93
121.25
121.25
121.25
121.25
113.88
116.93
114.34
113.45
114.34
116.93
121.25
121.25
113.45
121.25
121.25
121.25
121.25
o
117.70
117.70
118.90
117.70
117.00
121.90
117.70
117.00
118.60
118.60
117.70
117.70
117.70
118.60
120.30
121.90
117.70
117.70
120.30
117.70
121.90
117.70
117.00
117.70
121.90
117.70
117.70
117.70
117.70
108.20
121.90
118.60
117.00
118.60
121.90
117.70
117.70
117.00
117.70
117.70
117.70
117.70
Continued on next page...
Page 86
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
21
54
54
54
54
54
21
21
22
54
54
54
54
55
54
54
21
21
54
54
54
54
21
21
21
21
21
25
54
54
21
21
54
54
54
54
54
54
54
54
AA
AA
AA
BA
BA
BA
BA
BA
AA
AA
A1
BA
BA
BA
BA
BB
BA
BA
AA
AA
BA
BA
BA
BA
AA
AA
AA
AA
AA
BC
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
596
1170
1518
722
1384
2094
2183
2418
1223
1364
58
218
1319
2632
2778
35
750
517
712
779
586
793
980
1916
26
382
572
1192
1238
211
453
614
563
553
10
49
1800
1802
1961
807
11
1502
A
A
A
A
A
A
A
A
C
U
A
A
C
A
A
C
A
C
A
C
A
A
A
A
A
A
A
C
A
ARG
A
A
A
A
A
A
C
A
C
U
C
A
Atoms
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
N1-C6-N6
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
C4-C5-C6
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
C5-C6-N1
Z
7.09
7.09
7.09
7.09
-7.09
7.09
-7.09
7.09
-7.09
7.09
7.09
-7.09
-7.09
7.09
7.09
-7.09
-7.08
7.08
7.08
-7.08
7.08
7.08
-7.08
7.08
7.08
7.08
-7.08
-7.08
7.08
7.08
7.08
-7.08
7.08
-7.08
7.08
7.08
-7.08
7.08
-7.08
7.07
-7.07
7.07
4V74
Observed( ) Ideal( )
o
121.25
121.24
121.24
121.25
113.45
121.25
114.35
121.24
116.94
113.87
121.24
114.35
116.94
121.24
121.24
116.94
113.46
113.87
121.24
116.94
121.24
121.24
114.35
121.24
121.24
121.24
114.35
116.94
121.24
123.84
121.24
113.46
121.24
114.36
121.24
121.24
116.95
121.24
116.95
113.86
116.95
121.24
o
117.70
117.70
117.70
117.70
117.00
117.70
118.60
117.70
121.90
108.20
117.70
118.60
121.90
117.70
117.70
121.90
117.00
108.20
117.70
121.90
117.70
117.70
118.60
117.70
117.70
117.70
118.60
121.90
117.70
120.30
117.70
117.00
117.70
118.60
117.70
117.70
121.90
117.70
121.90
108.20
121.90
117.70
Continued on next page...
Page 87
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
21
54
21
54
54
54
36
54
10
21
21
54
54
54
21
21
21
54
54
54
54
54
54
21
21
28
54
54
54
21
54
54
54
54
55
54
21
54
21
BA
BA
BA
AA
BA
AA
BA
BA
BA
BN
BA
AK
AA
AA
BA
BA
BA
AA
AA
AA
BA
BA
BA
BA
BA
BA
AA
AA
BF
BA
BA
BA
AA
BA
BA
BA
BA
BB
BA
AA
BA
AA
886
1230
1243
496
915
1507
789
1366
2761
2
213
92
918
1382
1941
503
2402
74
456
600
1029
204
1302
1597
2314
2851
576
1132
79
262
903
2114
759
502
508
592
2157
110
975
1508
2471
143
A
A
C
A
C
A
A
A
A
ARG
A
ARG
A
C
C
A
U
A
A
A
A
A
A
A
A
A
C
C
ARG
A
C
A
A
A
A
A
G
C
A
A
A
A
Atoms
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
N1-C6-N6
N1-C6-N6
C4-C5-C6
C5-C6-N1
NE-CZ-NH1
C4-C5-C6
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
N1-C6-N6
C5-C6-N1
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
Z
7.07
-7.07
-7.07
7.07
-7.07
-7.06
-7.06
-7.06
7.06
7.06
-7.06
7.06
7.06
-7.06
-7.06
-7.06
-7.06
7.05
7.05
7.05
7.05
7.05
-7.05
-7.05
-7.05
7.05
-7.05
-7.05
7.05
-7.05
-7.05
7.05
7.05
7.05
7.05
7.05
7.05
-7.05
-7.04
7.04
7.04
7.04
4V74
Observed( ) Ideal( )
o
121.24
113.47
116.95
121.23
116.95
114.36
114.36
113.47
121.23
123.83
113.47
123.83
121.23
116.96
116.96
113.47
117.26
121.23
121.23
121.23
121.23
121.23
113.47
113.47
114.37
121.23
116.97
116.97
123.83
114.37
116.97
121.22
121.22
121.22
121.22
121.22
113.84
116.97
113.48
121.22
121.22
121.22
o
117.70
117.00
121.90
117.70
121.90
118.60
118.60
117.00
117.70
120.30
117.00
120.30
117.70
121.90
121.90
117.00
122.20
117.70
117.70
117.70
117.70
117.70
117.00
117.00
118.60
117.70
121.90
121.90
120.30
118.60
121.90
117.70
117.70
117.70
117.70
117.70
108.20
121.90
117.00
117.70
117.70
117.70
Continued on next page...
Page 88
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
54
54
55
16
21
21
21
54
21
54
54
55
21
21
21
54
21
54
54
21
21
21
54
54
11
21
25
54
54
54
54
21
54
54
54
21
23
54
54
AA
BA
BA
BA
BA
BB
AQ
AA
AA
AA
BA
AA
BA
BA
BB
AA
AA
AA
BA
AA
BA
BA
AA
AA
AA
BA
BA
AL
AA
BC
BA
BA
BA
BA
AA
BA
BA
BA
AA
A2
BA
BA
1396
1618
2147
2748
2837
39
61
998
681
1513
279
737
255
1092
29
65
72
389
2886
188
182
1821
814
554
1080
631
2860
8
658
101
241
1353
1757
2888
327
402
477
2675
968
79
1676
1805
A
A
A
A
A
A
ARG
C
A
A
A
C
A
C
A
A
A
A
A
C
A
A
A
A
A
A
A
ARG
C
ARG
A
A
A
C
A
A
A
A
A
A
A
A
Atoms
C5-C6-N1
C5-C6-N1
N1-C6-N6
C4-C5-C6
N1-C6-N6
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
C4-C5-C6
C5-C6-N1
N1-C6-N6
C4-C5-C6
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
N1-C6-N6
N3-C2-O2
N1-C6-N6
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N1-C6-N6
Z
7.04
7.04
-7.04
-7.04
-7.04
-7.04
7.04
-7.04
7.04
7.04
7.04
-7.04
7.04
-7.04
7.04
7.04
-7.04
7.04
7.04
-7.03
7.03
-7.03
-7.03
7.03
-7.03
-7.03
7.03
7.03
-7.03
7.03
7.03
-7.03
-7.03
-7.03
-7.03
-7.03
7.03
7.03
7.02
7.02
-7.02
-7.02
4V74
Observed( ) Ideal( )
o
121.22
121.22
114.38
113.48
114.38
113.48
123.82
116.97
121.22
121.22
121.22
116.97
121.22
116.97
121.22
121.22
113.48
121.22
121.22
116.98
121.22
113.48
113.48
121.22
114.38
113.48
121.22
123.81
116.98
123.81
121.21
114.38
114.38
116.98
114.39
114.39
121.21
121.21
121.21
121.21
114.39
114.39
o
117.70
117.70
118.60
117.00
118.60
117.00
120.30
121.90
117.70
117.70
117.70
121.90
117.70
121.90
117.70
117.70
117.00
117.70
117.70
121.90
117.70
117.00
117.00
117.70
118.60
117.00
117.70
120.30
121.90
120.30
117.70
118.60
118.60
121.90
118.60
118.60
117.70
117.70
117.70
117.70
118.60
118.60
Continued on next page...
Page 89
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
15
21
21
54
21
54
54
5
21
54
54
54
54
54
54
54
21
21
54
37
54
54
21
21
54
54
22
21
54
54
54
55
21
54
54
54
21
21
21
54
54
21
AP
AA
AA
BA
AA
BA
BA
AF
AA
BA
BA
BA
BA
BA
BA
BA
AA
AA
BA
BO
BA
BA
AA
AA
BA
BA
A1
AA
BA
BA
BA
BB
AA
BA
BA
BA
AA
AA
AA
BA
BA
AA
35
468
1092
853
502
2309
2439
38
151
1470
340
456
1936
2150
324
2287
274
1306
302
33
1669
2835
382
1031
644
2542
3
958
501
812
2448
45
635
1919
2469
2636
712
787
935
2097
2711
539
ARG
A
A
C
A
A
A
ARG
A
A
A
C
A
C
A
A
A
A
C
ARG
A
A
A
C
A
A
G
A
A
C
A
A
A
A
A
C
A
A
A
A
A
A
Atoms
NE-CZ-NH1
C5-C6-N1
N1-C6-N6
N3-C2-O2
C5-C6-N1
C4-C5-C6
C1'-O4'-C4'
NE-CZ-NH1
C4-C5-C6
N1-C6-N6
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
O4'-C1'-N9
C5-C6-N1
C5-C6-N1
N3-C2-O2
NE-CZ-NH2
C5-C6-N1
C4-C5-C6
N1-C6-N6
N3-C2-O2
N1-C6-N6
N1-C6-N6
O4'-C1'-N9
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
C5-C6-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
C5-C6-N1
Z
7.02
7.02
-7.02
-7.02
7.02
-7.02
-7.02
7.02
-7.02
-7.02
7.01
-7.01
-7.01
-7.01
-7.01
7.01
7.01
7.01
-7.01
7.01
7.01
-7.01
-7.00
-7.00
-7.00
-7.00
7.00
-7.00
7.00
-7.00
7.00
-7.00
7.00
7.00
7.00
-7.00
-7.00
7.00
-7.00
7.00
-7.00
7.00
4V74
Observed( ) Ideal( )
o
123.81
121.21
114.39
116.99
121.21
113.49
104.29
123.81
113.49
114.39
121.21
116.99
113.49
116.99
113.49
113.81
121.20
121.20
116.99
123.80
121.20
113.50
114.40
117.00
114.40
114.40
113.80
113.50
121.20
117.00
121.20
113.50
121.20
121.20
121.20
117.00
113.50
121.20
113.50
121.20
113.50
121.20
o
120.30
117.70
118.60
121.90
117.70
117.00
109.90
120.30
117.00
118.60
117.70
121.90
117.00
121.90
117.00
108.20
117.70
117.70
121.90
120.30
117.70
117.00
118.60
121.90
118.60
118.60
108.20
117.00
117.70
121.90
117.70
117.00
117.70
117.70
117.70
121.90
117.00
117.70
117.00
117.70
117.00
117.70
Continued on next page...
Page 90
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
54
21
54
54
55
16
54
54
54
54
54
8
12
21
21
21
54
21
21
34
54
54
54
21
54
54
11
21
54
54
54
54
54
54
54
54
21
BA
BA
BA
BA
BA
BA
AA
BA
BA
BB
AQ
BA
BA
BA
BA
BA
AI
AM
AA
AA
AA
BA
AA
AA
BL
BA
BA
BA
AA
BA
BA
AL
AA
BA
BA
BA
BA
BA
BA
BA
BA
AA
2450
223
227
861
1403
2095
1252
1678
1981
28
10
282
344
928
2706
111
121
108
221
364
522
1574
329
1533
47
19
1039
2392
900
783
2573
49
620
751
920
1237
564
1978
2513
2388
2813
53
A
A
A
A
A
A
A
A
A
C
ARG
A
A
A
A
A
ARG
ARG
C
A
C
C
A
C
ARG
A
A
A
A
A
C
ARG
C
A
A
A
C
A
A
A
A
A
Atoms
C4-C5-C6
C5-C6-N1
C4-C5-C6
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
C1'-O4'-C4'
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
C5-C6-N1
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
N1-C6-N6
C4-C5-C6
Z
-7.00
6.99
-6.99
6.99
-6.99
6.99
6.99
-6.99
6.99
-6.99
6.99
-6.99
6.99
-6.99
6.99
6.99
6.99
6.99
-6.99
-6.99
-6.99
-6.99
6.99
-6.99
6.99
6.99
6.99
6.99
-6.98
6.98
-6.98
6.98
-6.98
6.98
-6.98
6.98
-6.98
6.98
6.98
-6.98
-6.98
-6.98
4V74
Observed( ) Ideal( )
o
113.50
121.20
113.50
121.20
114.40
121.20
121.20
113.50
121.20
117.01
123.80
113.50
121.19
113.50
121.19
121.19
123.79
123.79
117.01
113.51
117.01
117.01
121.19
104.31
123.79
121.19
121.19
121.19
114.41
121.19
117.01
123.79
117.01
121.19
113.51
121.19
117.01
121.19
121.19
113.51
114.41
113.51
o
117.00
117.70
117.00
117.70
118.60
117.70
117.70
117.00
117.70
121.90
120.30
117.00
117.70
117.00
117.70
117.70
120.30
120.30
121.90
117.00
121.90
121.90
117.70
109.90
120.30
117.70
117.70
117.70
118.60
117.70
121.90
120.30
121.90
117.70
117.00
117.70
121.90
117.70
117.70
117.00
118.60
117.00
Continued on next page...
Page 91
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
21
54
54
54
54
54
23
42
54
54
22
14
21
39
54
54
54
54
21
54
54
54
54
22
54
54
21
54
21
21
21
22
54
54
54
54
54
13
54
54
AA
BA
AA
BA
BA
BA
BA
BA
A2
BT
BA
BA
A1
AO
AA
BQ
BA
BA
BA
BA
AA
BA
BA
BA
BA
A1
BA
BA
AA
BA
AA
AA
AA
A1
BA
BA
BA
BA
BA
AN
BA
BA
510
507
825
793
1833
2572
2757
1870
89
12
1960
2333
69
52
1499
91
155
794
2019
2850
465
532
928
1876
2758
6
2248
2547
1093
1032
1216
1395
716
28
1008
1899
505
723
2215
81
22
457
A
A
A
A
C
A
A
C
U
ARG
A
A
A
ARG
A
ARG
A
A
A
A
A
A
A
A
A
A
C
A
A
A
A
C
A
C
A
A
A
C
C
ARG
C
A
Atoms
C4-C5-C6
C5-C6-N1
C4-C5-C6
N1-C6-N6
N3-C2-O2
C5-C6-N1
N1-C6-N6
N3-C2-O2
O4'-C1'-N1
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
C4-C5-C6
NE-CZ-NH1
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
C1'-O4'-C4'
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
Z
-6.98
6.98
-6.97
-6.97
-6.97
6.97
-6.97
-6.97
6.97
6.97
-6.97
6.97
-6.97
6.97
6.97
6.97
6.97
6.97
-6.97
6.97
6.96
6.96
6.96
-6.96
6.96
6.96
6.96
6.96
-6.96
6.96
-6.96
-6.96
6.96
-6.96
6.96
6.96
6.96
-6.96
-6.96
6.96
-6.96
-6.96
4V74
Observed( ) Ideal( )
o
113.51
121.19
113.51
114.42
117.02
121.19
114.42
117.02
113.78
123.78
113.52
121.19
113.52
123.78
121.18
123.78
121.18
121.18
114.42
121.18
121.18
121.18
121.18
114.42
121.18
121.18
113.77
121.18
104.33
121.18
113.52
117.03
121.18
117.03
121.18
121.18
121.18
117.03
117.03
123.78
117.03
113.52
o
117.00
117.70
117.00
118.60
121.90
117.70
118.60
121.90
108.20
120.30
117.00
117.70
117.00
120.30
117.70
120.30
117.70
117.70
118.60
117.70
117.70
117.70
117.70
118.60
117.70
117.70
108.20
117.70
109.90
117.70
117.00
121.90
117.70
121.90
117.70
117.70
117.70
121.90
121.90
120.30
121.90
117.00
Continued on next page...
Page 92
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
20
21
21
54
21
21
54
21
21
54
54
54
21
46
54
54
54
54
21
54
54
21
54
21
21
54
54
54
54
54
54
54
21
21
54
21
21
21
21
21
21
BA
AU
AA
AA
BA
AA
AA
BA
AA
AA
BA
BA
BA
AA
BX
BA
BA
BA
BA
AA
BA
BA
AA
BA
AA
AA
BA
BA
BA
BA
BA
BA
BA
AA
AA
BA
AA
AA
AA
AA
AA
AA
1103
17
251
383
1966
621
1357
1365
321
732
599
1754
2108
456
44
1251
835
2268
2682
1092
1264
1504
1269
219
559
66
802
1111
1365
1300
429
673
2284
32
1082
1735
209
451
758
1332
1428
651
A
ARG
G
A
A
A
A
A
A
C
A
A
A
A
ARG
C
C
A
A
A
A
A
A
A
A
A
A
A
A
G
A
C
A
A
A
A
U
A
C
A
A
C
Atoms
C5-C6-N1
NE-CZ-NH1
P-O3'-C3'
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
N1-C6-N6
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
P-O3'-C3'
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
N1-C6-N6
O4'-C1'-N1
N1-C6-N6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-O2
Z
6.96
6.95
6.95
-6.95
6.95
6.95
-6.95
-6.95
-6.95
-6.95
6.95
6.95
-6.95
-6.95
6.95
-6.95
-6.95
6.95
-6.95
6.95
6.95
6.95
6.94
6.94
-6.94
6.94
6.94
6.94
6.94
6.94
-6.94
-6.94
6.94
6.93
-6.93
-6.93
6.93
-6.93
-6.93
6.93
6.93
-6.93
4V74
Observed( ) Ideal( )
o
121.18
123.78
128.04
114.43
121.18
121.18
114.43
113.52
113.53
117.03
121.17
121.17
113.53
114.43
123.77
117.04
117.04
121.17
113.53
121.17
121.17
121.17
121.17
121.17
114.43
121.17
121.17
121.17
121.17
128.03
114.44
117.04
121.17
121.17
113.53
114.44
113.75
114.44
117.05
121.17
121.17
117.05
o
117.70
120.30
119.70
118.60
117.70
117.70
118.60
117.00
117.00
121.90
117.70
117.70
117.00
118.60
120.30
121.90
121.90
117.70
117.00
117.70
117.70
117.70
117.70
117.70
118.60
117.70
117.70
117.70
117.70
119.70
118.60
121.90
117.70
117.70
117.00
118.60
108.20
118.60
121.90
117.70
117.70
121.90
Continued on next page...
Page 93
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
21
21
21
24
54
54
21
54
54
54
54
21
54
5
54
54
55
54
54
21
21
49
54
21
21
54
54
21
54
21
21
24
54
54
54
21
34
54
54
55
AA
BA
AA
AA
AA
A3
BA
BA
AA
BA
BA
BA
BA
AA
BA
AF
BA
BA
BB
BA
BA
AA
AA
B0
BA
AA
AA
BA
BA
AA
BA
AA
AA
A3
BA
BA
BA
AA
BL
BA
BA
BB
1508
1096
195
1251
1428
42
1986
1089
120
2090
2096
2627
2815
366
2171
79
42
2340
11
146
348
167
563
51
144
746
1287
506
1877
1110
1953
640
1151
22
920
1942
2880
841
41
1427
2298
99
A
A
A
A
A
C
C
A
A
A
C
G
C
A
A
ARG
A
A
C
A
A
A
A
ARG
A
A
A
G
A
A
A
A
A
A
A
C
C
C
ARG
A
A
A
Atoms
N1-C6-N6
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
O4'-C1'-N9
N3-C2-O2
C5-C6-N1
C4-C5-C6
NE-CZ-NH2
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
C5-C6-N1
O4'-C1'-N9
C5-C6-N1
C5-C6-N1
C4-C5-C6
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
N3-C2-O2
N3-C2-O2
NE-CZ-NH2
C4-C5-C6
C5-C6-N1
C5-C6-N1
Z
-6.93
6.93
6.93
-6.93
-6.93
-6.93
-6.93
6.93
6.93
-6.93
-6.93
6.93
-6.93
6.92
-6.92
-6.92
6.92
-6.92
-6.92
6.92
-6.92
6.92
-6.92
6.92
-6.92
-6.91
6.91
6.91
6.91
6.91
-6.91
-6.91
6.91
6.91
-6.91
-6.91
-6.91
-6.91
6.91
-6.91
6.91
6.91
4V74
Observed( ) Ideal( )
o
114.44
121.17
121.17
113.53
113.54
117.05
117.05
121.16
121.16
114.44
117.05
113.74
117.05
121.16
113.54
116.84
121.16
113.54
117.06
121.16
114.45
121.16
114.45
123.76
113.54
113.54
121.16
113.73
121.16
121.16
113.54
114.45
121.16
121.16
114.45
117.06
117.06
117.06
123.75
113.55
121.15
121.15
o
118.60
117.70
117.70
117.00
117.00
121.90
121.90
117.70
117.70
118.60
121.90
108.20
121.90
117.70
117.00
120.30
117.70
117.00
121.90
117.70
118.60
117.70
118.60
120.30
117.00
117.00
117.70
108.20
117.70
117.70
117.00
118.60
117.70
117.70
118.60
121.90
121.90
121.90
120.30
117.00
117.70
117.70
Continued on next page...
Page 94
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
21
27
54
54
54
54
21
21
21
22
54
54
54
54
54
24
21
21
54
54
54
21
21
21
54
54
21
21
54
54
54
54
54
54
21
34
54
21
54
54
AA
AA
AA
BE
BA
BA
BA
BA
AA
AA
AA
A1
BA
BA
BA
BA
BA
A3
AA
AA
BA
BA
BA
AA
AA
AA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
AA
BL
BA
AA
BA
BA
106
910
1339
44
825
1732
2281
2666
321
706
1448
66
192
1780
2082
2343
2418
1
602
1019
643
2008
2513
934
764
1096
1616
2427
316
794
172
727
944
982
1040
1894
300
123
1165
223
623
1614
C
C
A
ARG
A
C
A
C
A
A
C
A
C
A
A
U
A
C
A
A
A
C
A
C
C
C
A
C
C
A
A
A
C
C
A
C
A
ARG
A
A
C
A
Atoms
N3-C2-O2
N3-C2-O2
C4-C5-C6
NE-CZ-NH1
N1-C6-N6
N3-C2-O2
C5-C6-N1
N1-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
C5-C6-N1
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N1-C6-N6
C5-C6-N1
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
Z
-6.91
-6.91
-6.91
6.91
-6.91
-6.91
6.91
6.91
6.90
-6.90
-6.90
-6.90
-6.90
6.90
6.90
6.90
-6.90
-6.90
-6.90
6.90
6.90
-6.90
-6.90
-6.90
-6.89
-6.89
-6.89
-6.89
-6.89
-6.89
-6.89
6.89
-6.89
-6.89
6.89
-6.89
6.89
6.89
6.89
-6.89
-6.89
6.89
4V74
Observed( ) Ideal( )
o
117.06
117.07
113.55
123.75
114.46
117.07
121.15
123.04
121.15
113.55
117.07
113.55
117.07
121.15
121.15
113.72
113.55
117.07
113.55
121.15
113.72
117.07
113.55
117.07
117.07
117.07
113.55
117.07
117.08
113.55
114.47
121.15
117.08
117.08
121.15
117.08
121.14
123.75
121.15
113.56
117.08
121.14
o
121.90
121.90
117.00
120.30
118.60
121.90
117.70
118.90
117.70
117.00
121.90
117.00
121.90
117.70
117.70
108.20
117.00
121.90
117.00
117.70
108.20
121.90
117.00
121.90
121.90
121.90
117.00
121.90
121.90
117.00
118.60
117.70
121.90
121.90
117.70
121.90
117.70
120.30
117.70
117.00
121.90
117.70
Continued on next page...
Page 95
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
24
54
54
54
54
54
54
54
21
54
54
9
21
54
54
21
54
54
21
21
54
54
54
54
56
21
21
54
54
54
56
21
54
21
21
21
21
21
54
54
54
55
A3
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
AJ
AA
BA
BA
AA
BA
BA
AA
AA
BA
BA
BA
BA
B5
AA
AA
BA
BA
BA
B5
AA
BA
AA
AA
AA
AA
AA
BA
BA
BA
BB
44
2440
1367
1866
1632
2705
996
1890
583
1879
2635
5
665
2546
2868
878
146
1895
338
1201
71
103
541
621
9
461
1375
787
1808
1874
7
339
1088
298
386
695
1157
649
547
782
1676
29
A
C
A
A
A
A
A
A
A
C
A
ARG
A
U
A
A
A
C
A
A
A
A
A
A
ARG
A
A
C
A
C
ARG
C
A
A
C
A
A
A
A
A
A
A
Atoms
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
N1-C6-N6
C4-C5-C6
N3-C2-O2
C5-C6-N1
NE-CZ-NH1
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
C4-C5-C6
N1-C6-N6
C5-C6-N1
NE-CZ-NH1
N1-C6-N6
N1-C6-N6
N3-C2-O2
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
Z
-6.89
-6.89
6.89
6.89
6.88
-6.88
6.88
-6.88
-6.88
-6.88
6.88
6.88
-6.88
6.88
-6.88
6.88
-6.88
-6.88
-6.88
-6.88
6.88
-6.88
-6.88
6.88
6.88
-6.88
-6.88
-6.87
6.87
-6.87
6.87
-6.87
6.87
-6.87
-6.87
-6.87
6.87
6.87
6.87
-6.87
6.87
-6.87
4V74
Observed( ) Ideal( )
o
113.56
117.08
121.14
121.14
121.14
113.56
121.14
114.47
113.56
117.08
121.14
123.74
113.56
113.70
113.56
121.14
113.56
117.08
113.56
113.56
113.70
113.56
114.47
121.14
123.74
114.47
114.47
117.09
121.14
117.09
123.74
117.09
121.14
113.56
117.09
113.56
121.14
121.13
121.14
113.57
121.13
113.57
o
117.00
121.90
117.70
117.70
117.70
117.00
117.70
118.60
117.00
121.90
117.70
120.30
117.00
108.20
117.00
117.70
117.00
121.90
117.00
117.00
108.20
117.00
118.60
117.70
120.30
118.60
118.60
121.90
117.70
121.90
120.30
121.90
117.70
117.00
121.90
117.00
117.70
117.70
117.70
117.00
117.70
117.00
Continued on next page...
Page 96
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
22
54
21
54
21
32
54
54
21
54
54
54
55
21
21
21
54
54
21
21
22
54
54
54
54
21
21
54
54
54
54
21
13
54
54
54
21
21
54
54
21
AA
A1
BA
AA
BA
AA
BJ
BA
BA
AA
BA
BA
BA
BB
AA
AA
AA
BA
BA
AA
AA
A1
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
AA
AN
BA
BA
BA
AA
AA
BA
BA
AA
1496
75
1965
1476
2082
533
37
1881
2652
907
1489
1566
1650
58
13
496
1046
910
1247
228
612
26
1350
839
1610
2386
192
197
1746
1746
2015
2900
78
61
1027
2327
2755
59
460
1918
2715
99
C
C
C
A
A
A
ARG
C
C
A
C
A
A
A
U
A
A
A
A
A
C
A
C
U
A
A
A
A
A
A
A
A
A
ARG
A
A
C
A
A
A
C
C
Atoms
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
N1-C6-N6
N1-C6-N6
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
C5-C6-N1
C1'-O4'-C4'
N1-C6-N6
C4-C5-C6
C5-C6-N1
C5-C6-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C1'-O4'-C4'
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
N1-C6-N6
C4-C5-C6
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
N3-C2-O2
Z
-6.87
-6.87
-6.87
-6.86
-6.86
-6.86
6.86
-6.86
-6.86
6.86
6.86
-6.86
-6.86
6.86
-6.86
-6.86
-6.86
6.86
6.86
-6.86
-6.86
-6.86
-6.86
6.85
-6.85
6.85
-6.85
6.85
6.85
-6.85
6.85
-6.85
-6.85
6.85
6.85
6.85
-6.85
-6.85
6.85
6.85
-6.85
-6.85
4V74
Observed( ) Ideal( )
o
117.09
117.09
117.09
113.57
114.48
114.48
123.73
117.10
117.10
121.13
113.69
113.57
113.57
121.13
104.41
114.48
113.57
121.13
121.13
113.57
117.10
113.57
117.10
113.68
104.42
121.13
113.57
121.13
121.13
113.57
121.13
114.49
113.58
123.72
121.12
121.12
117.11
113.58
121.12
121.12
117.11
117.11
o
121.90
121.90
121.90
117.00
118.60
118.60
120.30
121.90
121.90
117.70
108.20
117.00
117.00
117.70
109.90
118.60
117.00
117.70
117.70
117.00
121.90
117.00
121.90
108.20
109.90
117.70
117.00
117.70
117.70
117.00
117.70
118.60
117.00
120.30
117.70
117.70
121.90
117.00
117.70
117.70
121.90
121.90
Continued on next page...
Page 97
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
28
54
21
21
54
54
54
21
56
54
54
54
54
21
21
54
55
54
54
9
54
54
54
21
21
21
21
54
54
21
21
54
21
54
54
54
54
21
21
54
54
21
BF
BA
AA
AA
BA
BA
BA
AA
B5
BA
BA
BA
BA
AA
AA
BA
BB
BA
BA
AJ
BA
BA
BA
AA
AA
AA
AA
BA
BA
AA
AA
BA
AA
BA
BA
BA
BA
AA
AA
BA
BA
AA
177
764
101
178
460
1100
1678
1322
12
270
951
1272
2117
246
972
432
27
156
2535
45
497
637
1226
466
860
932
1081
905
2424
238
347
2035
131
487
1020
1526
1677
435
1288
1393
1572
172
ARG
A
A
C
A
C
A
C
ARG
A
C
A
A
A
C
A
C
A
G
ARG
A
A
A
A
A
C
A
A
C
A
G
G
A
C
A
C
A
A
A
A
A
A
Atoms
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
O4'-C1'-N9
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-N2
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
P-O3'-C3'
C1'-O4'-C4'
O4'-C1'-N9
C5-C6-N1
N3-C2-O2
C5-C6-N1
O4'-C1'-N1
N1-C6-N6
N1-C6-N6
C5-C6-N1
C4-C5-C6
N1-C6-N6
C4-C5-C6
Z
6.85
-6.85
6.84
-6.84
-6.84
-6.84
6.84
-6.84
6.84
6.84
6.84
6.84
6.84
6.84
-6.84
6.84
-6.84
-6.84
-6.84
6.83
-6.83
-6.83
6.83
-6.83
6.83
-6.83
6.83
-6.83
-6.83
6.83
-6.83
6.83
6.83
-6.83
6.83
6.83
-6.83
-6.83
6.83
-6.83
-6.83
-6.83
4V74
Observed( ) Ideal( )
o
123.72
113.58
121.12
117.11
113.58
117.11
121.12
117.11
123.72
121.12
113.67
121.12
113.67
121.12
117.11
121.12
117.11
113.58
115.11
123.72
113.58
113.58
121.12
113.58
121.12
117.12
121.12
113.58
117.12
127.90
104.43
113.67
121.11
117.12
121.11
113.66
114.50
114.50
121.11
113.58
114.50
113.59
o
120.30
117.00
117.70
121.90
117.00
121.90
117.70
121.90
120.30
117.70
108.20
117.70
108.20
117.70
121.90
117.70
121.90
117.00
119.90
120.30
117.00
117.00
117.70
117.00
117.70
121.90
117.70
117.00
121.90
119.70
109.90
108.20
117.70
121.90
117.70
108.20
118.60
118.60
117.70
117.00
118.60
117.00
Continued on next page...
Page 98
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
21
21
21
54
54
54
54
21
21
21
54
55
54
54
54
21
54
54
21
54
54
55
21
34
3
54
54
21
54
54
15
54
21
21
21
54
2
21
40
AA
BA
BA
AA
AA
AA
BA
BA
BA
BA
AA
AA
AA
BA
BB
BA
BA
BA
AA
BA
BA
AA
BA
BA
BB
AA
BL
AD
BA
BA
AA
BA
BA
AP
BA
AA
AA
AA
BA
AC
AA
BR
648
821
2433
408
583
1163
925
1155
2241
2740
994
1188
1218
13
34
507
1194
2560
98
384
1213
1299
2634
1439
52
738
48
164
1826
2507
16
1090
2527
5
2716
974
1169
1410
10
64
1378
13
A
A
A
A
A
A
A
A
A
A
A
A
C
A
A
A
A
A
A
A
A
A
A
A
A
C
ARG
ARG
G
C
A
A
C
ARG
C
A
A
A
A
ARG
C
ARG
Atoms
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
N1-C6-N6
N3-C2-O2
C5-C6-N1
C4-C5-C6
C4-C5-C6
N1-C6-N6
C4-C5-C6
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
NE-CZ-NH1
O4'-C1'-N9
N3-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
NE-CZ-NH2
O4'-C1'-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C4-C5-C6
NE-CZ-NH2
N3-C2-O2
NE-CZ-NH1
Z
6.83
6.83
6.83
6.82
6.82
-6.82
6.82
6.82
6.82
6.82
-6.82
-6.82
-6.82
6.82
-6.82
-6.82
-6.82
-6.82
-6.82
6.82
6.82
6.81
-6.81
6.81
-6.81
-6.81
6.81
6.81
6.81
-6.81
6.81
-6.81
-6.81
-6.81
6.81
6.80
-6.80
6.80
-6.80
-6.80
-6.80
6.80
4V74
Observed( ) Ideal( )
o
121.11
121.11
121.11
121.11
121.11
113.59
121.11
121.11
121.11
121.11
113.59
114.51
117.13
121.11
113.59
113.59
114.51
113.59
113.59
121.11
121.11
121.11
113.59
121.11
113.59
117.13
123.70
123.70
113.65
117.13
121.10
113.60
117.14
116.90
113.64
121.10
114.52
121.10
113.60
116.90
117.14
123.70
o
117.70
117.70
117.70
117.70
117.70
117.00
117.70
117.70
117.70
117.70
117.00
118.60
121.90
117.70
117.00
117.00
118.60
117.00
117.00
117.70
117.70
117.70
117.00
117.70
117.00
121.90
120.30
120.30
108.20
121.90
117.70
117.00
121.90
120.30
108.20
117.70
118.60
117.70
117.00
120.30
121.90
120.30
Continued on next page...
Page 99
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
21
21
54
55
54
54
55
21
21
54
54
54
54
21
21
25
54
54
54
54
54
21
54
54
21
54
54
54
21
21
54
54
56
21
21
54
54
54
BA
BA
BA
BA
AA
AA
BA
BB
BA
BA
BB
AA
AA
BA
BA
BA
BA
AA
AA
BC
BA
BA
BA
BA
BA
AA
BA
BA
AA
BA
BA
BA
AA
AA
BA
BA
B5
AA
AA
BA
BA
BA
433
655
1787
2267
47
223
1433
46
221
715
59
781
1369
32
482
2403
2726
80
472
176
1001
1064
1392
1584
2887
1080
849
2281
1357
823
1433
2273
175
288
84
1889
134
906
1374
466
1244
2752
C
A
A
A
C
A
A
A
A
A
A
A
C
C
A
C
A
A
U
ARG
A
C
A
U
A
A
A
A
A
C
A
A
C
A
A
A
ARG
A
A
A
A
C
Atoms
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
C4-C5-C6
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
C4-C5-C6
C1'-O4'-C4'
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
C5-C6-N1
N1-C6-N6
NE-CZ-NH1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C4-C5-C6
N3-C2-O2
Z
-6.80
6.80
6.80
-6.80
-6.80
6.80
6.80
6.80
-6.80
-6.80
-6.80
6.79
-6.79
-6.79
-6.79
-6.79
6.79
-6.79
-6.79
6.79
6.79
-6.79
6.79
6.79
-6.79
6.79
-6.79
-6.79
-6.79
-6.79
-6.79
6.79
-6.78
-6.78
6.78
-6.78
6.78
-6.78
6.78
6.78
-6.78
-6.78
4V74
Observed( ) Ideal( )
o
117.14
121.10
121.10
113.60
117.14
121.10
121.10
121.10
113.60
113.60
113.60
121.10
117.14
117.14
113.60
117.14
121.10
113.60
104.47
123.70
121.10
117.15
121.10
113.63
113.60
121.09
113.61
113.61
113.61
117.15
113.61
121.09
117.15
113.61
121.09
114.53
123.69
114.53
121.09
121.09
113.61
117.15
o
121.90
117.70
117.70
117.00
121.90
117.70
117.70
117.70
117.00
117.00
117.00
117.70
121.90
121.90
117.00
121.90
117.70
117.00
109.90
120.30
117.70
121.90
117.70
108.20
117.00
117.70
117.00
117.00
117.00
121.90
117.00
117.70
121.90
117.00
117.70
118.60
120.30
118.60
117.70
117.70
117.00
121.90
Continued on next page...
Page 100
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
54
21
21
24
54
21
21
21
54
54
54
21
54
54
21
21
54
54
54
21
54
54
17
54
54
21
54
54
54
54
21
21
21
21
21
54
54
55
9
AA
BA
BA
BA
AA
AA
A3
BA
AA
AA
AA
BA
BA
BA
AA
BA
BA
AA
AA
BA
BA
BA
AA
BA
BA
AR
BA
BA
AA
BA
BA
BA
BA
AA
AA
AA
AA
AA
BA
BA
BB
AJ
1169
705
2335
2602
1004
1051
67
211
749
1066
1339
2080
249
2014
532
990
2328
796
1500
650
900
2510
1287
1494
1504
72
1625
1635
345
278
706
1700
1912
1055
1227
371
629
1102
1276
1772
97
48
A
A
A
A
A
C
C
C
A
C
A
A
C
A
A
A
A
C
A
C
A
C
A
A
A
ARG
C
A
C
A
A
A
A
A
A
A
A
A
A
A
C
ARG
Atoms
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
N1-C6-N6
N3-C2-O2
N1-C6-N6
C4-C5-C6
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
NE-CZ-NH2
N3-C2-O2
C5-C6-N1
N1-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
N1-C6-N6
C5-C6-N1
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
NE-CZ-NH2
Z
6.78
6.78
6.78
-6.78
-6.78
-6.78
-6.78
-6.78
6.78
-6.78
6.78
-6.78
-6.78
-6.78
-6.77
6.77
-6.77
-6.77
6.77
-6.77
6.77
6.77
-6.77
6.77
-6.77
6.77
-6.77
6.77
6.77
6.77
6.77
-6.77
-6.77
-6.77
6.77
-6.76
-6.76
6.76
-6.76
-6.76
-6.76
-6.76
4V74
Observed( ) Ideal( )
o
121.09
121.09
121.09
113.61
113.61
117.15
117.16
117.16
121.09
117.16
121.09
114.53
117.16
114.53
113.61
121.09
113.61
117.16
121.09
117.16
121.09
113.62
113.61
121.09
113.61
123.69
117.16
121.08
122.96
121.08
121.08
113.62
113.62
114.54
121.08
113.62
113.62
121.08
113.62
113.62
117.17
116.92
o
117.70
117.70
117.70
117.00
117.00
121.90
121.90
121.90
117.70
121.90
117.70
118.60
121.90
118.60
117.00
117.70
117.00
121.90
117.70
121.90
117.70
108.20
117.00
117.70
117.00
120.30
121.90
117.70
118.90
117.70
117.70
117.00
117.00
118.60
117.70
117.00
117.00
117.70
117.00
117.00
121.90
120.30
Continued on next page...
Page 101
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
54
54
54
21
21
21
54
54
54
54
54
21
21
27
54
21
21
54
54
55
21
33
21
21
21
21
21
21
21
54
21
21
54
54
54
21
21
54
54
BA
AA
AA
BA
BA
BA
AA
AA
AA
BA
BA
BA
BA
BA
AA
AA
BE
BA
AA
AA
BA
BA
BB
AA
BK
AA
AA
AA
AA
AA
AA
AA
BA
AA
AA
BA
BA
BA
AA
AA
BA
BA
2362
1257
1437
423
1359
1509
334
694
1012
320
1054
1200
1269
1664
139
806
21
2600
374
893
817
1114
94
1120
78
451
968
578
579
1350
1400
136
426
67
155
167
578
917
25
192
21
439
C
A
A
A
A
A
C
A
A
A
A
C
A
A
A
C
ARG
A
A
C
C
C
A
C
ARG
A
A
C
A
A
C
C
C
C
A
A
G
A
C
A
A
A
Atoms
O4'-C1'-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
N1-C6-N6
C5-C6-N1
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
N1-C6-N6
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-N2
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
Z
6.76
6.76
6.76
6.76
6.76
-6.76
-6.76
6.76
6.76
6.76
6.76
6.76
-6.76
6.76
-6.76
-6.76
6.76
-6.76
-6.76
-6.76
-6.76
-6.76
6.76
-6.75
6.75
6.75
6.75
-6.75
-6.75
6.75
-6.75
-6.75
-6.75
-6.75
6.75
6.75
-6.75
6.75
-6.75
6.75
6.75
-6.75
4V74
Observed( ) Ideal( )
o
113.61
121.08
121.08
121.08
121.08
113.62
117.17
121.08
121.08
121.08
121.08
113.61
114.54
121.08
113.62
117.17
123.68
114.55
113.62
117.17
117.17
117.17
121.08
117.17
123.68
121.08
113.60
117.17
113.62
121.08
117.17
117.17
117.17
117.18
121.07
121.07
115.17
121.07
117.18
121.07
121.07
114.55
o
108.20
117.70
117.70
117.70
117.70
117.00
121.90
117.70
117.70
117.70
117.70
108.20
118.60
117.70
117.00
121.90
120.30
118.60
117.00
121.90
121.90
121.90
117.70
121.90
120.30
117.70
108.20
121.90
117.00
117.70
121.90
121.90
121.90
121.90
117.70
117.70
119.90
117.70
121.90
117.70
117.70
118.60
Continued on next page...
Page 102
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
54
54
54
54
54
54
8
21
21
21
21
24
54
54
21
21
54
54
54
54
54
54
23
54
54
24
21
54
21
39
54
21
54
54
54
54
54
21
54
BA
AA
AA
BA
BA
BA
BA
BA
BA
AI
AA
AA
AA
AA
A3
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
A2
BA
BA
A3
AA
BA
AA
BQ
BA
AA
BA
BA
BA
BA
BA
AA
BA
1987
81
1318
56
343
1431
1786
2376
2883
129
71
554
1042
1480
76
896
2691
655
1503
742
1591
2232
2577
1285
1632
89
544
1868
59
513
152
865
32
2589
349
99
176
955
1591
2530
816
1276
A
A
A
A
C
A
A
A
A
ARG
A
A
A
A
C
A
C
A
A
A
A
C
A
A
A
U
C
C
A
C
A
A
ARG
A
A
U
A
U
A
A
A
A
Atoms
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
O4'-C1'-N9
NE-CZ-NH2
C5-C6-N1
C4-C5-C6
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
C5-C6-N1
C4-C5-C6
P-O3'-C3'
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
NE-CZ-NH2
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
Z
6.75
-6.75
6.74
6.74
-6.74
6.74
6.74
-6.74
6.74
6.74
6.74
-6.74
-6.74
6.74
-6.74
-6.74
-6.74
6.74
-6.74
6.74
6.74
-6.74
-6.74
6.74
-6.74
6.74
-6.74
-6.74
6.73
-6.73
6.73
6.73
6.73
-6.73
6.73
-6.73
-6.73
6.73
-6.73
6.73
6.73
6.73
4V74
Observed( ) Ideal( )
o
121.07
113.63
121.07
121.07
117.18
121.07
121.07
113.63
113.59
123.67
121.07
113.63
113.63
121.07
117.18
113.63
117.18
121.07
113.63
121.07
121.07
117.18
113.63
121.07
113.63
127.78
117.19
117.19
121.07
117.19
121.07
121.06
123.67
113.64
121.06
117.49
113.64
113.58
113.64
121.06
121.06
121.06
o
117.70
117.00
117.70
117.70
121.90
117.70
117.70
117.00
108.20
120.30
117.70
117.00
117.00
117.70
121.90
117.00
121.90
117.70
117.00
117.70
117.70
121.90
117.00
117.70
117.00
119.70
121.90
121.90
117.70
121.90
117.70
117.70
120.30
117.00
117.70
122.20
117.00
108.20
117.00
117.70
117.70
117.70
Continued on next page...
Page 103
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
37
54
54
54
54
54
55
21
54
54
54
21
21
54
54
54
54
54
54
21
54
28
25
54
21
21
54
54
54
54
54
54
54
21
54
54
54
54
54
54
AA
AA
BO
BA
BA
BA
BA
BA
BB
AA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
AA
BA
BF
BC
BA
AA
AA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
673
880
25
586
1465
2366
2634
2808
101
944
95
374
2766
270
313
644
1284
2417
718
1070
1265
1384
2291
111
132
1167
816
1188
53
1858
2468
399
415
765
1532
1176
428
584
1073
1169
1919
2179
A
C
ARG
A
G
A
A
G
A
G
A
A
A
A
A
A
A
C
A
A
A
C
U
ARG
ARG
C
A
A
A
A
A
U
A
C
A
A
A
C
A
A
A
C
Atoms
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
N1-C6-O6
N1-C6-N6
C5-C6-N1
N3-C2-N2
C5-C6-N1
P-O3'-C3'
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
O4'-C1'-N9
N1-C6-N6
N3-C2-O2
O4'-C1'-N1
NE-CZ-NH1
NE-CZ-NH1
N3-C2-O2
N1-C6-N6
C5-C6-N1
C4-C5-C6
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
Z
6.72
-6.72
6.72
-6.72
-6.72
-6.72
6.72
-6.72
6.72
6.72
6.72
6.72
-6.72
6.72
6.72
6.72
6.72
-6.72
6.72
6.72
-6.72
-6.72
6.72
6.71
6.71
-6.71
-6.71
6.71
-6.71
-6.71
-6.71
6.71
6.71
-6.71
-6.71
6.71
-6.71
-6.71
6.71
-6.71
-6.71
-6.71
4V74
Observed( ) Ideal( )
o
121.06
117.19
123.66
113.64
115.87
114.57
121.06
115.19
121.06
127.77
121.06
121.06
114.57
121.06
121.06
121.06
121.06
117.20
121.06
113.57
114.57
117.20
113.57
123.66
123.66
117.20
114.57
121.06
113.64
113.64
113.64
113.57
121.06
117.20
113.64
121.05
113.65
117.20
121.05
113.65
113.64
117.20
o
117.70
121.90
120.30
117.00
119.90
118.60
117.70
119.90
117.70
119.70
117.70
117.70
118.60
117.70
117.70
117.70
117.70
121.90
117.70
108.20
118.60
121.90
108.20
120.30
120.30
121.90
118.60
117.70
117.00
117.00
117.00
108.20
117.70
121.90
117.00
117.70
117.00
121.90
117.70
117.00
117.00
121.90
Continued on next page...
Page 104
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
55
13
54
54
54
54
54
22
21
21
54
54
54
55
54
54
32
54
21
21
21
44
47
54
54
54
51
54
21
54
21
21
21
21
54
54
54
55
21
22
54
BA
BB
AN
BA
BA
BA
BA
BA
A1
AA
AA
BA
BA
BA
BB
BA
BA
BJ
BA
AA
AA
AA
BV
BY
BA
BA
BA
B2
BA
AA
BA
AA
AA
AA
AA
BA
BA
BA
BB
AA
A1
BA
2243
89
65
422
575
1006
1802
2590
6
1350
1376
515
1095
1363
43
574
1664
27
1966
648
1069
1082
93
23
609
821
2733
33
281
1282
1598
896
253
936
1413
352
668
2377
8
238
76
2207
U
U
ARG
A
A
C
A
A
A
A
U
A
A
C
C
A
A
ARG
A
A
C
A
ARG
ARG
A
A
A
ARG
C
C
A
C
A
C
A
A
A
A
C
A
A
C
Atoms
O4'-C1'-N1
O4'-C1'-N1
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
N3-C2-O2
N1-C6-N6
N1-C6-N6
C4-C5-C6
C4-C5-C6
C1'-O4'-C4'
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
NE-CZ-NH1
NE-CZ-NH1
C5-C6-N1
C4-C5-C6
N1-C6-N6
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
O4'-C1'-N9
N3-C2-O2
Z
6.71
6.71
6.71
6.71
6.71
-6.71
-6.71
-6.71
-6.71
-6.70
-6.70
-6.70
-6.70
-6.70
-6.70
6.70
-6.70
6.70
-6.70
-6.70
-6.70
6.70
6.70
6.70
6.70
-6.70
-6.70
6.70
-6.70
-6.70
6.70
-6.69
-6.69
6.69
6.69
-6.69
6.69
-6.69
-6.69
-6.69
6.69
-6.69
4V74
Observed( ) Ideal( )
o
113.57
113.57
123.65
121.05
121.05
117.20
114.58
114.58
113.65
113.65
104.54
113.65
113.65
117.21
117.21
121.05
113.65
123.65
113.65
113.65
117.21
121.05
123.65
123.65
121.05
113.65
114.58
123.65
117.21
117.21
121.05
117.21
113.65
113.55
121.05
113.65
121.05
113.65
117.22
113.66
113.55
117.22
o
108.20
108.20
120.30
117.70
117.70
121.90
118.60
118.60
117.00
117.00
109.90
117.00
117.00
121.90
121.90
117.70
117.00
120.30
117.00
117.00
121.90
117.70
120.30
120.30
117.70
117.00
118.60
120.30
121.90
121.90
117.70
121.90
117.00
108.20
117.70
117.00
117.70
117.00
121.90
117.00
108.20
121.90
Continued on next page...
Page 105
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
21
21
54
54
54
54
54
54
55
55
23
54
21
21
54
54
24
54
21
54
54
8
54
21
21
54
54
21
36
54
21
21
21
21
54
21
21
26
54
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
BB
BB
A2
BA
AA
AA
BA
BA
A3
BA
AA
BA
BA
AI
BA
AA
AA
BA
BA
AA
BN
BA
AA
AA
AA
AA
BA
AA
AA
BD
BA
2486
92
1556
629
1502
201
2025
2675
2723
2170
2234
42
94
91
2654
40
815
517
1522
14
795
1100
1077
2840
11
1028
681
825
1816
2020
1534
30
737
564
687
1152
1314
2594
459
790
59
849
C
U
C
A
A
C
C
A
C
A
G
C
A
A
A
C
A
C
A
A
C
C
A
C
ARG
A
A
A
C
A
A
ARG
C
C
A
A
C
C
A
A
ARG
A
Atoms
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
NE-CZ-NH2
C4-C5-C6
C4-C5-C6
C5-C6-N1
N3-C2-O2
N1-C6-N6
O4'-C1'-N9
NE-CZ-NH2
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N1-C6-N6
NE-CZ-NH1
C5-C6-N1
Z
-6.69
6.69
-6.69
6.69
-6.69
-6.69
-6.69
-6.69
-6.69
6.69
6.69
-6.69
-6.69
-6.68
6.68
-6.68
-6.68
-6.68
-6.68
6.68
-6.68
-6.68
-6.68
-6.68
-6.68
-6.68
-6.68
6.68
-6.68
-6.68
6.67
-6.67
6.67
-6.67
-6.67
-6.67
-6.67
-6.67
-6.67
-6.67
6.67
6.67
4V74
Observed( ) Ideal( )
o
117.22
113.55
117.22
121.04
113.66
117.22
117.22
113.66
117.22
121.04
113.55
117.22
113.66
113.66
121.04
117.22
113.66
117.22
113.66
121.04
117.22
117.22
113.66
117.22
116.96
113.66
113.66
121.04
117.23
114.59
113.54
116.96
113.54
117.23
113.66
113.66
117.23
117.23
113.67
114.60
123.63
121.03
o
121.90
108.20
121.90
117.70
117.00
121.90
121.90
117.00
121.90
117.70
108.20
121.90
117.00
117.00
117.70
121.90
117.00
121.90
117.00
117.70
121.90
121.90
117.00
121.90
120.30
117.00
117.00
117.70
121.90
118.60
108.20
120.30
108.20
121.90
117.00
117.00
121.90
121.90
117.00
118.60
120.30
117.70
Continued on next page...
Page 106
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
21
25
21
54
54
54
54
54
54
54
21
21
21
21
21
21
54
54
54
54
54
54
21
21
21
54
54
54
54
54
55
54
54
54
54
21
54
BA
BA
BA
BA
BA
AA
BC
AA
BA
BA
BA
BA
BA
BA
BA
AA
AA
AA
AA
AA
AA
BA
BA
BA
BA
BA
BA
AA
AA
AA
BA
BA
BA
BA
BA
BB
BA
BA
BA
BA
AA
BA
1209
1382
2225
1513
1784
580
181
130
256
1385
1477
1535
1890
2088
2411
649
1210
1447
58
129
1197
5
678
1144
2565
672
1985
371
1063
1389
56
634
1708
2131
2628
62
309
1583
1837
2510
766
716
U
G
A
U
A
C
ARG
A
A
A
A
A
A
A
A
A
C
A
C
A
A
A
C
A
A
C
C
A
C
C
A
C
C
U
C
C
A
A
C
C
A
A
Atoms
C5'-C4'-O4'
C5'-C4'-C3'
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
C5-C6-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-O2
N3-C2-O2
C5-C6-N1
C5-C6-N1
Z
6.67
-6.67
6.67
6.67
-6.67
-6.67
6.67
-6.66
6.66
-6.66
6.66
-6.66
6.66
6.66
6.66
-6.66
-6.66
6.66
-6.66
-6.66
6.66
-6.66
-6.66
6.66
-6.66
-6.66
-6.66
6.66
-6.66
-6.66
-6.66
-6.66
-6.66
6.66
6.66
-6.66
6.65
6.65
-6.65
-6.65
6.65
6.65
4V74
Observed( ) Ideal( )
o
117.10
105.33
121.03
113.53
113.67
117.23
123.63
113.67
121.03
113.67
121.03
113.67
121.03
121.03
121.03
114.60
117.24
113.53
117.24
113.67
121.03
113.67
117.24
121.03
113.67
117.24
117.24
121.03
117.24
117.24
113.67
117.24
117.24
113.53
122.89
117.24
121.03
121.03
117.24
117.24
121.03
121.03
o
109.10
116.00
117.70
108.20
117.00
121.90
120.30
117.00
117.70
117.00
117.70
117.00
117.70
117.70
117.70
118.60
121.90
108.20
121.90
117.00
117.70
117.00
121.90
117.70
117.00
121.90
121.90
117.70
121.90
121.90
117.00
121.90
121.90
108.20
118.90
121.90
117.70
117.70
121.90
121.90
117.70
117.70
Continued on next page...
Page 107
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
55
21
21
54
54
54
21
54
54
54
54
54
54
54
21
54
21
21
51
54
21
21
21
21
21
21
21
21
21
21
54
54
54
54
54
25
54
54
54
21
BA
BA
BB
AA
AA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
BA
AA
BA
AA
AA
B2
BA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
BA
BA
BA
BA
BA
BC
BA
BA
BA
AA
1080
2558
50
520
1204
1076
1305
1612
634
1172
1173
2101
296
1175
1178
2173
1368
1677
336
1093
39
1611
189
280
330
519
1183
1329
1510
48
156
1413
1698
432
1893
2166
2359
47
451
1048
1773
419
A
C
A
A
A
C
C
C
C
C
U
A
U
A
C
A
A
A
A
A
ARG
C
A
C
C
C
U
A
C
C
C
A
A
A
C
U
C
ARG
U
A
A
C
Atoms
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
C5-C6-N1
N1-C2-O2
N3-C2-O2
N3-C2-O2
C1'-O4'-C4'
C5-C6-N1
N3-C2-O2
N1-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
NE-CZ-NH1
C1'-O4'-C4'
C4-C5-C6
C5-C6-N1
N3-C2-O2
Z
-6.65
-6.65
-6.65
-6.65
-6.65
-6.65
-6.65
-6.65
-6.65
-6.65
6.65
6.65
6.65
-6.65
-6.65
6.65
6.65
6.65
-6.64
-6.64
6.64
-6.64
6.64
6.64
-6.64
-6.64
-6.64
6.64
-6.64
6.64
-6.64
-6.64
-6.64
-6.64
-6.64
6.64
-6.64
6.63
-6.63
-6.63
6.63
-6.63
4V74
Observed( ) Ideal( )
o
113.67
117.24
113.67
113.67
113.67
117.25
117.25
117.24
117.25
117.25
113.52
121.03
113.52
113.68
117.25
121.02
121.02
121.02
113.68
113.68
123.62
117.25
121.02
122.89
117.25
117.25
104.59
121.02
117.25
122.88
117.25
113.68
113.68
113.68
117.25
113.51
117.25
123.62
104.59
113.68
121.02
117.26
o
117.00
121.90
117.00
117.00
117.00
121.90
121.90
121.90
121.90
121.90
108.20
117.70
108.20
117.00
121.90
117.70
117.70
117.70
117.00
117.00
120.30
121.90
117.70
118.90
121.90
121.90
109.90
117.70
121.90
118.90
121.90
117.00
117.00
117.00
121.90
108.20
121.90
120.30
109.90
117.00
117.70
121.90
Continued on next page...
Page 108
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
45
54
54
54
54
19
35
54
24
54
54
54
54
54
54
21
54
54
54
54
54
54
54
8
21
22
54
54
54
54
54
54
21
21
54
54
54
54
54
54
AA
AA
BW
BA
BA
BA
BA
AT
BM
BA
A3
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
BA
AI
AA
A1
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
937
1306
24
97
1039
1417
1793
59
6
173
3
231
767
1548
1892
2278
2601
1150
2154
478
19
1738
2088
2135
2471
10
53
31
565
1293
1805
1810
1854
2600
574
1466
57
1247
1764
115
1508
1541
A
A
ARG
C
A
C
C
ARG
ARG
A
C
A
U
A
C
A
C
A
A
A
A
G
A
A
A
ARG
A
C
C
C
A
A
A
A
A
C
C
A
C
C
A
C
Atoms
C4-C5-C6
N1-C6-N6
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
NE-CZ-NH2
NE-CZ-NH2
C4-C5-C6
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
O4'-C1'-N9
C4-C5-C6
C5-C6-N1
C4-C5-C6
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
N3-C2-O2
N1-C6-N6
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
Z
-6.63
-6.63
6.63
-6.63
-6.63
-6.63
-6.63
6.63
6.63
-6.63
-6.63
-6.63
6.63
6.63
-6.63
6.63
-6.63
-6.63
-6.63
6.62
-6.62
6.62
-6.62
6.62
-6.62
6.62
6.62
-6.62
-6.62
-6.62
6.62
6.62
6.62
6.62
-6.62
-6.62
-6.62
-6.62
-6.62
-6.62
6.61
-6.61
4V74
Observed( ) Ideal( )
o
113.69
114.62
123.62
117.26
113.68
117.26
117.26
123.61
123.61
113.69
117.26
113.69
113.50
121.01
117.26
121.01
117.26
113.69
113.69
121.01
113.69
113.50
113.69
121.01
113.69
123.61
121.01
117.27
117.27
117.27
121.01
121.01
121.01
121.01
114.63
117.27
117.27
114.63
117.27
117.27
121.01
117.27
o
117.00
118.60
120.30
121.90
117.00
121.90
121.90
120.30
120.30
117.00
121.90
117.00
108.20
117.70
121.90
117.70
121.90
117.00
117.00
117.70
117.00
108.20
117.00
117.70
117.00
120.30
117.70
121.90
121.90
121.90
117.70
117.70
117.70
117.70
118.60
121.90
121.90
118.60
121.90
121.90
117.70
121.90
Continued on next page...
Page 109
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
54
54
21
54
54
54
21
21
54
54
54
54
54
54
54
54
21
54
54
54
54
54
54
54
54
21
54
54
54
54
54
54
21
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
2077
661
666
1836
310
540
1067
1277
352
501
1713
32
478
1605
309
1932
38
264
1241
2054
2650
1261
270
825
1274
1606
1670
2261
1290
2879
179
47
52
299
735
945
1127
1456
351
1593
1981
2717
A
A
A
C
A
C
A
C
A
A
A
A
A
C
A
A
A
C
A
A
U
A
A
A
A
C
C
C
C
A
A
C
A
A
A
A
A
A
C
A
A
C
Atoms
C5-C6-N1
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
N1-C6-N6
C4-C5-C6
N1-C6-N6
C5-C6-N1
N3-C2-O2
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
O4'-C1'-N9
C4-C5-C6
O4'-C1'-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
N1-C6-N6
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
O4'-C1'-N9
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
Z
6.61
6.61
6.61
-6.61
6.61
-6.61
-6.61
-6.61
6.61
-6.61
-6.61
-6.60
6.60
-6.60
-6.60
6.60
6.60
-6.60
6.60
-6.60
6.60
6.60
-6.60
6.60
-6.59
-6.59
-6.59
-6.59
-6.59
6.59
6.59
-6.59
6.59
-6.59
6.59
-6.59
-6.59
6.59
-6.59
-6.59
-6.59
-6.59
4V74
Observed( ) Ideal( )
o
121.01
121.01
121.00
117.27
121.00
117.27
113.69
117.28
121.00
114.64
113.70
114.64
121.00
117.28
113.70
121.00
121.00
117.28
113.48
113.70
113.48
121.00
114.64
121.00
114.64
117.28
117.28
117.28
117.28
113.47
121.00
117.29
121.00
113.70
121.00
113.70
113.70
121.00
117.29
113.70
113.70
117.29
o
117.70
117.70
117.70
121.90
117.70
121.90
117.00
121.90
117.70
118.60
117.00
118.60
117.70
121.90
117.00
117.70
117.70
121.90
108.20
117.00
108.20
117.70
118.60
117.70
118.60
121.90
121.90
121.90
121.90
108.20
117.70
121.90
117.70
117.00
117.70
117.00
117.00
117.70
121.90
117.00
117.00
121.90
Continued on next page...
Page 110
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
54
55
54
54
21
35
51
54
21
21
54
21
21
21
54
54
21
21
24
54
54
54
54
40
54
17
21
24
24
54
54
54
21
21
21
21
21
21
54
AA
BA
BA
BA
BB
BA
BA
AA
BM
B2
BA
AA
AA
BA
AA
AA
AA
BA
BA
AA
AA
A3
BA
BA
BA
BA
BR
BA
AR
AA
A3
A3
BA
BA
BA
AA
AA
AA
AA
AA
AA
BA
373
1416
2198
2774
115
1214
2432
1363
51
14
2632
171
1022
2227
264
600
964
671
2283
279
936
39
792
1404
1803
2326
80
1549
63
77
36
63
596
1084
2738
83
60
329
784
908
1511
127
A
G
A
C
A
A
A
A
ARG
ARG
A
A
A
A
C
A
A
C
C
A
C
A
A
C
A
C
ARG
A
TYR
A
A
C
U
A
A
C
A
A
A
A
G
A
Atoms
C4-C5-C6
O4'-C1'-N9
O4'-C1'-N9
O4'-C1'-N1
C5-C6-N1
N1-C6-N6
C4-C5-C6
C4-C5-C6
NE-CZ-NH1
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
CB-CG-CD1
C5-C6-N1
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
C5-C6-N1
N1-C6-N6
C5-C6-N1
C5-C6-N1
N1-C6-O6
C5-C6-N1
Z
-6.59
6.59
6.59
6.59
6.59
-6.58
-6.58
-6.58
6.58
6.58
-6.58
-6.58
-6.58
-6.58
-6.58
-6.58
6.58
-6.58
6.58
-6.58
-6.58
-6.58
-6.58
-6.58
6.58
-6.58
6.57
-6.57
-6.57
6.57
6.57
-6.57
6.57
6.57
-6.57
-6.57
6.57
-6.57
6.57
6.57
-6.57
6.57
4V74
Observed( ) Ideal( )
o
113.71
113.47
113.47
113.47
120.99
114.65
113.71
113.71
123.59
123.59
113.71
113.71
113.71
113.71
117.30
113.71
120.99
117.29
113.46
113.71
117.30
113.71
113.71
117.30
120.99
117.30
123.59
113.71
117.06
120.98
120.98
117.30
113.46
120.98
114.66
117.30
120.98
114.66
120.98
120.98
115.96
120.98
o
117.00
108.20
108.20
108.20
117.70
118.60
117.00
117.00
120.30
120.30
117.00
117.00
117.00
117.00
121.90
117.00
117.70
121.90
108.20
117.00
121.90
117.00
117.00
121.90
117.70
121.90
120.30
117.00
121.00
117.70
117.70
121.90
108.20
117.70
118.60
121.90
117.70
118.60
117.70
117.70
119.90
117.70
Continued on next page...
Page 111
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
55
54
54
54
21
54
21
21
42
54
54
21
54
54
54
25
54
54
54
54
54
54
21
21
21
54
54
54
54
21
21
21
21
48
54
54
54
54
BA
BA
BA
BA
BB
BA
BA
BA
AA
BA
AA
AA
BT
BA
BA
AA
BA
BA
BA
BC
BA
BA
BA
BA
BA
BA
AA
AA
AA
BA
BA
BA
BA
AA
AA
AA
AA
BZ
BA
BA
BA
BA
635
1084
1104
1925
34
1788
2322
2368
1228
2000
23
193
77
1051
2073
613
2332
2374
2753
79
183
1246
1960
2581
2764
1944
489
1281
1341
748
1057
2589
2522
206
422
1289
1360
30
346
1121
2362
2827
C
A
C
C
A
C
A
C
C
C
C
C
ARG
G
C
C
C
C
A
ARG
C
A
A
G
A
U
C
C
U
G
A
A
U
C
C
A
A
ARG
A
C
C
C
Atoms
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
O4'-C1'-N9
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
NE-CZ-NH1
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
O4'-C1'-N9
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
C1'-O4'-C4'
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
Z
-6.57
-6.57
-6.57
-6.57
6.57
-6.56
6.56
-6.56
-6.56
-6.56
-6.56
-6.56
6.56
6.56
-6.56
-6.56
-6.56
-6.56
6.56
6.56
6.56
-6.56
6.56
6.56
6.56
6.56
-6.55
-6.55
6.55
-6.55
6.55
6.55
6.55
-6.55
-6.55
-6.55
-6.55
6.55
-6.55
-6.55
-6.55
-6.55
4V74
Observed( ) Ideal( )
o
117.30
113.72
117.30
117.30
120.98
117.31
120.98
117.31
117.31
117.31
117.31
117.31
123.58
113.45
117.31
117.31
117.31
117.31
120.98
123.58
113.45
113.72
120.98
113.45
120.98
113.44
117.31
117.31
113.44
104.66
120.98
120.98
113.44
117.31
117.32
113.72
113.73
123.58
113.73
117.32
117.32
117.32
o
121.90
117.00
121.90
121.90
117.70
121.90
117.70
121.90
121.90
121.90
121.90
121.90
120.30
108.20
121.90
121.90
121.90
121.90
117.70
120.30
108.20
117.00
117.70
108.20
117.70
108.20
121.90
121.90
108.20
109.90
117.70
117.70
108.20
121.90
121.90
117.00
117.00
120.30
117.00
121.90
121.90
121.90
Continued on next page...
Page 112
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
21
24
54
54
21
21
37
54
54
21
54
54
54
54
21
21
54
54
21
21
21
54
54
21
21
21
54
54
21
21
21
21
54
54
54
54
54
54
54
BA
BA
BA
AA
A3
BA
BA
AA
AA
BO
BA
BA
AA
BA
BA
BA
BA
AA
AA
BA
BA
AA
AA
AA
BA
BA
AA
AA
AA
BA
BA
AA
AA
AA
AA
BA
BA
BA
BA
BA
BA
BA
1262
1796
2566
338
70
216
2517
680
728
25
1085
1819
1042
1233
1739
791
1752
715
1113
1914
2050
523
655
840
1634
1652
119
234
1155
251
854
675
844
1161
1519
345
1260
1347
2119
177
471
925
A
U
A
A
C
A
C
C
A
ARG
A
A
A
C
A
C
C
A
C
C
C
A
A
C
A
A
A
C
A
A
C
A
G
C
A
A
A
A
A
G
A
A
Atoms
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
NE-CZ-NH2
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
N1-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-N2
N3-C2-O2
N1-C6-N6
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
O4'-C1'-N9
C5-C6-N1
C4-C5-C6
Z
6.55
6.55
-6.55
6.55
-6.55
-6.55
-6.54
-6.54
-6.54
-6.54
-6.54
6.54
6.54
-6.54
6.54
-6.54
-6.54
6.54
-6.54
6.54
-6.54
-6.54
-6.54
-6.54
-6.54
-6.54
6.53
-6.53
-6.53
6.53
-6.53
-6.53
-6.53
-6.53
-6.53
-6.53
-6.53
6.53
-6.53
6.53
6.53
-6.53
4V74
Observed( ) Ideal( )
o
120.97
113.44
113.73
120.97
117.32
113.73
117.32
117.32
113.73
117.03
113.73
120.97
120.97
117.32
120.97
117.32
117.32
120.97
117.32
122.82
117.32
113.73
113.73
117.33
113.73
113.73
120.97
117.33
113.73
120.97
117.33
113.73
115.33
117.33
114.68
113.73
113.73
120.97
113.73
113.42
120.96
113.74
o
117.70
108.20
117.00
117.70
121.90
117.00
121.90
121.90
117.00
120.30
117.00
117.70
117.70
121.90
117.70
121.90
121.90
117.70
121.90
118.90
121.90
117.00
117.00
121.90
117.00
117.00
117.70
121.90
117.00
117.70
121.90
117.00
119.90
121.90
118.60
117.00
117.00
117.70
117.00
108.20
117.70
117.00
Continued on next page...
Page 113
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
21
54
11
54
54
54
54
54
54
21
21
54
21
21
54
54
54
54
54
41
54
54
21
11
54
54
54
54
54
54
54
54
21
54
54
21
54
BA
BA
BA
BA
BA
AA
BA
AL
BA
BA
BA
BA
BA
BA
AA
AA
BA
AA
AA
BA
BA
BA
BA
BA
BS
BA
BA
AA
AL
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
AA
BA
1745
2381
2738
936
2369
1434
2837
113
492
1825
2343
2534
2699
1771
647
1285
1327
1055
1479
743
1313
1438
2829
633
95
1575
2095
393
53
398
640
116
167
439
1205
2560
2882
1418
274
2009
1158
943
A
A
A
A
A
A
A
ARG
A
U
U
A
C
C
C
A
A
A
C
A
U
U
A
A
ARG
C
A
A
ARG
C
C
C
A
A
A
A
A
A
C
A
C
A
Atoms
C4-C5-C6
C5-C6-N1
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N1
C3'-C2'-C1'
C5-C6-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
N3-C2-O2
N1-C6-N6
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
N1-C2-O2
C5-C6-N1
Z
-6.53
6.53
-6.53
-6.53
-6.53
-6.52
6.52
6.52
6.52
6.52
6.52
6.52
-6.52
-6.52
-6.52
-6.52
-6.52
6.52
-6.52
6.52
-6.52
6.52
-6.52
6.52
6.51
-6.51
-6.51
6.51
6.51
-6.51
-6.51
-6.51
-6.51
-6.51
-6.51
6.51
-6.51
6.51
-6.51
6.51
6.51
6.51
4V74
Observed( ) Ideal( )
o
113.74
120.96
113.74
113.74
113.74
113.74
120.96
123.56
120.96
113.42
106.72
120.96
117.33
117.33
117.34
113.74
113.74
120.96
117.34
120.96
117.64
113.42
113.74
120.96
123.56
117.34
113.74
120.96
123.56
117.34
117.34
117.34
114.69
113.75
113.75
120.95
113.75
120.95
117.34
120.95
122.80
120.95
o
117.00
117.70
117.00
117.00
117.00
117.00
117.70
120.30
117.70
108.20
101.50
117.70
121.90
121.90
121.90
117.00
117.00
117.70
121.90
117.70
122.20
108.20
117.00
117.70
120.30
121.90
117.00
117.70
120.30
121.90
121.90
121.90
118.60
117.00
117.00
117.70
117.00
117.70
121.90
117.70
118.90
117.70
Continued on next page...
Page 114
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
22
54
21
21
21
54
54
21
21
54
54
21
21
54
54
54
54
55
11
21
54
54
54
55
54
54
54
21
54
54
54
55
21
22
54
54
54
21
21
54
54
AA
A1
BA
AA
AA
AA
BA
BA
AA
AA
BA
BA
AA
AA
BA
BA
BA
BA
BB
AL
AA
BA
BA
BA
BB
BA
BA
BA
AA
BA
BA
BA
BB
AA
A1
BA
BA
BA
AA
AA
BA
BA
430
25
2163
614
649
1011
1156
2726
553
559
968
1123
959
1271
64
340
980
2635
59
30
475
1490
1561
1901
66
447
595
2767
63
1304
1526
2020
101
85
35
1413
1414
1689
190
1236
898
1165
A
C
A
C
A
C
A
A
A
A
C
C
A
A
A
A
A
A
A
ARG
C
A
C
A
A
A
C
C
C
A
C
A
A
U
A
A
C
A
A
A
C
A
Atoms
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C5-C6-N1
O4'-C1'-N9
N3-C2-O2
N3-C2-O2
C4-C5-C6
C5-C6-N1
C5-C6-N1
N1-C6-N6
C5-C6-N1
C4-C5-C6
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
N1-C6-N6
O4'-C1'-N1
N1-C6-N6
C4-C5-C6
N3-C2-O2
C5-C6-N1
C4-C5-C6
N1-C6-N6
N3-C2-O2
C4-C5-C6
Z
6.50
-6.50
6.50
-6.50
-6.50
-6.50
-6.50
-6.50
6.50
6.50
-6.50
-6.50
-6.50
6.50
6.50
-6.50
6.50
-6.50
6.50
6.50
-6.50
-6.50
-6.50
6.50
6.50
-6.50
-6.50
-6.50
-6.49
-6.49
-6.49
6.49
-6.49
6.49
-6.49
-6.49
-6.49
6.49
-6.49
-6.49
-6.49
-6.49
4V74
Observed( ) Ideal( )
o
120.95
117.35
120.95
117.35
113.75
117.35
113.75
113.75
120.95
113.40
117.35
117.35
113.75
120.95
120.95
114.70
120.95
113.75
120.95
123.55
117.35
113.75
117.35
120.95
120.95
114.70
117.35
117.35
117.35
113.75
117.35
120.95
114.70
113.39
114.70
113.75
117.36
120.95
113.75
114.71
117.36
113.75
o
117.70
121.90
117.70
121.90
117.00
121.90
117.00
117.00
117.70
108.20
121.90
121.90
117.00
117.70
117.70
118.60
117.70
117.00
117.70
120.30
121.90
117.00
121.90
117.70
117.70
118.60
121.90
121.90
121.90
117.00
121.90
117.70
118.60
108.20
118.60
117.00
121.90
117.70
117.00
118.60
121.90
117.00
Continued on next page...
Page 115
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
3
18
21
54
54
54
54
21
21
54
54
54
21
21
54
54
21
21
21
54
54
2
54
54
54
54
24
21
21
21
21
21
54
54
54
54
54
54
54
54
54
54
AD
AS
AA
BA
BA
BA
BA
AA
AA
BA
BA
BA
AA
AA
BA
BA
AA
AA
AA
BA
BA
AC
BA
BA
BA
BA
A3
AA
AA
AA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
110
4
353
6
1608
2071
2649
915
1160
1134
1262
1711
10
327
1571
2700
694
1036
1259
1614
2191
142
1768
1974
1656
1669
14
349
335
637
718
1032
528
959
1617
1947
2020
1005
1461
1502
2154
2681
ARG
LEU
A
A
A
A
C
A
G
A
A
A
A
A
A
A
A
A
C
A
A
ARG
C
C
C
A
A
A
C
C
A
G
A
A
C
C
A
C
C
A
A
C
Atoms
NE-CZ-NH1
C-N-CA
O4'-C1'-N9
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
O4'-C1'-N9
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
N1-C6-N6
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
O4'-C1'-N9
C5-C6-N1
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
C3'-C2'-C1'
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
Z
6.49
6.49
6.49
-6.49
6.49
6.49
-6.49
-6.49
6.49
-6.49
-6.49
6.49
-6.48
6.48
6.48
6.48
-6.48
6.48
-6.48
-6.48
-6.48
6.48
-6.48
-6.48
-6.48
-6.48
-6.48
-6.47
-6.47
-6.47
-6.47
6.47
6.47
-6.47
-6.47
-6.47
-6.47
6.47
-6.47
-6.47
6.47
-6.47
4V74
Observed( ) Ideal( )
o
123.54
137.92
113.39
113.76
120.94
120.94
117.36
113.76
113.39
113.76
113.76
120.94
113.76
120.94
120.94
120.94
113.76
120.94
117.36
113.76
113.76
123.54
117.36
117.36
117.37
113.76
114.71
113.76
117.37
117.37
113.76
113.38
120.94
113.76
117.37
117.37
113.76
106.68
117.37
113.77
120.94
117.37
o
120.30
121.70
108.20
117.00
117.70
117.70
121.90
117.00
108.20
117.00
117.00
117.70
117.00
117.70
117.70
117.70
117.00
117.70
121.90
117.00
117.00
120.30
121.90
121.90
121.90
117.00
118.60
117.00
121.90
121.90
117.00
108.20
117.70
117.00
121.90
121.90
117.00
101.50
121.90
117.00
117.70
121.90
Continued on next page...
Page 116
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
54
55
21
54
21
54
54
54
54
54
54
55
21
49
54
21
21
54
54
54
54
21
21
54
21
21
21
54
54
54
54
55
54
54
21
21
54
54
55
AA
BA
BA
BA
BB
AA
BA
AA
BA
BA
BA
BA
BA
BA
BB
AA
B0
BA
AA
AA
BA
BA
BA
BA
AA
AA
BA
AA
AA
AA
BA
BA
BA
BA
BB
BA
BA
AA
AA
BA
BA
BB
609
402
1040
2753
104
18
1150
412
366
449
1603
1639
1926
2768
108
795
49
693
1203
1443
72
1385
2175
1214
495
1128
1713
411
1208
1399
608
2047
2266
2407
36
820
1373
1152
1180
655
1654
17
A
A
A
A
A
C
C
A
C
A
A
C
U
U
A
C
ARG
A
C
C
U
A
C
A
A
C
A
A
C
C
A
C
A
A
C
A
A
A
A
A
A
C
Atoms
C4-C5-C6
C4-C5-C6
N1-C6-N6
C4-C5-C6
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
N1-C6-N6
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N1
C5-C6-N1
N1-C2-O2
NE-CZ-NH1
C4-C5-C6
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N9
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
C5-C6-N1
N3-C2-O2
Z
-6.47
-6.47
-6.47
-6.47
6.47
-6.47
-6.47
-6.47
6.47
-6.47
6.47
-6.47
6.47
6.47
6.47
6.46
6.46
-6.46
-6.46
-6.46
6.46
6.46
-6.46
6.46
6.46
-6.46
6.46
-6.46
-6.46
-6.46
-6.46
-6.46
-6.46
6.46
-6.46
6.46
6.46
6.45
-6.45
-6.45
6.45
-6.45
4V74
Observed( ) Ideal( )
o
113.77
113.77
114.72
113.77
120.94
117.37
117.37
113.77
113.37
114.72
120.93
117.37
113.37
113.37
120.93
122.78
123.53
113.77
117.38
117.38
113.37
113.37
117.38
120.93
120.93
117.38
120.93
113.77
117.38
117.38
113.77
117.38
113.77
120.93
117.38
120.93
120.93
120.93
113.77
113.77
120.93
117.38
o
117.00
117.00
118.60
117.00
117.70
121.90
121.90
117.00
108.20
118.60
117.70
121.90
108.20
108.20
117.70
118.90
120.30
117.00
121.90
121.90
108.20
108.20
121.90
117.70
117.70
121.90
117.70
117.00
121.90
121.90
117.00
121.90
117.00
117.70
121.90
117.70
117.70
117.70
117.00
117.00
117.70
121.90
Continued on next page...
Page 117
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
55
15
21
54
54
54
54
54
21
54
54
54
21
54
54
54
21
55
21
21
21
21
21
54
54
54
21
22
34
21
54
37
39
21
21
54
54
54
55
1
54
54
BB
AP
AA
BA
BA
BA
BA
BA
AA
BA
BA
BA
AA
BA
BA
BA
AA
BB
AA
AA
AA
AA
AA
BA
BA
BA
AA
A1
BL
AA
BA
BO
BQ
AA
AA
BA
BA
BA
BB
AB
BA
BA
29
14
1274
244
645
661
1291
1821
28
992
1928
394
1531
734
2021
2539
435
71
197
1213
1404
383
1078
892
1754
2564
899
11
18
831
742
94
12
251
1045
1307
2068
2205
15
62
357
668
A
ARG
A
A
C
A
C
A
A
C
A
C
A
A
C
C
A
C
A
A
C
A
U
A
A
A
C
C
ARG
A
A
ARG
ARG
G
C
A
U
A
A
ARG
C
A
Atoms
O4'-C1'-N9
NE-CZ-NH1
C5-C6-N1
C5-C6-N1
N1-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
N1-C6-N6
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
NE-CZ-NH1
NE-CZ-NH2
O4'-C1'-N9
N3-C2-O2
C5-C6-N1
C1'-O4'-C4'
C5-C6-N1
O4'-C1'-N9
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
Z
6.45
6.45
6.45
6.45
6.45
-6.45
-6.45
6.45
6.45
-6.45
6.45
-6.45
-6.45
6.45
-6.45
-6.45
-6.44
-6.44
-6.44
6.44
-6.44
6.44
-6.44
6.44
-6.44
-6.44
-6.44
-6.44
6.44
-6.44
-6.44
6.43
6.43
6.43
-6.43
6.43
-6.43
6.43
6.43
6.43
-6.43
-6.43
4V74
Observed( ) Ideal( )
o
113.36
123.53
120.92
120.92
122.77
113.78
117.39
120.93
120.92
117.39
120.92
117.39
114.73
120.92
117.39
117.39
113.78
117.39
113.78
120.92
117.39
120.92
117.69
120.92
113.78
113.78
117.39
117.39
123.52
113.78
113.78
123.52
123.52
113.34
117.40
120.92
104.75
120.92
113.35
123.52
117.40
113.78
o
108.20
120.30
117.70
117.70
118.90
117.00
121.90
117.70
117.70
121.90
117.70
121.90
118.60
117.70
121.90
121.90
117.00
121.90
117.00
117.70
121.90
117.70
122.20
117.70
117.00
117.00
121.90
121.90
120.30
117.00
117.00
120.30
120.30
108.20
121.90
117.70
109.90
117.70
108.20
120.30
121.90
117.00
Continued on next page...
Page 118
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
19
21
27
54
21
21
21
54
54
54
54
54
54
54
21
21
54
54
21
21
21
54
54
54
54
55
21
21
54
54
54
54
21
21
54
21
54
54
54
BA
BA
BA
AT
AA
BE
BA
AA
AA
AA
BA
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
AA
AA
AA
BA
BA
BA
BA
BB
AA
AA
BA
BA
BA
BA
AA
AA
BA
AA
BA
BA
BA
1452
2273
2521
17
54
79
1888
560
595
1286
1045
739
181
627
2006
1772
2196
215
1524
1569
1675
767
316
768
62
157
1044
1571
15
743
143
227
1674
404
2033
44
431
1674
1117
1404
2170
2703
G
A
C
ARG
C
ARG
G
A
A
U
C
A
A
A
C
A
C
C
C
A
C
A
C
A
U
C
C
A
A
A
A
A
G
A
A
A
A
G
A
C
A
C
Atoms
N1-C6-O6
N1-C6-N6
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
NE-CZ-NH1
O4'-C1'-N9
C4-C5-C6
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
C1'-O4'-C4'
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N1-C6-N6
N1-C6-N6
C5-C6-N1
C3'-C2'-C1'
C4-C5-C6
C5-C6-N1
C4-C5-C6
C4-C5-C6
N1-C6-O6
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
O4'-C1'-N1
Z
-6.43
-6.43
-6.43
6.43
-6.43
6.43
6.43
-6.43
6.43
-6.43
-6.43
-6.42
-6.42
-6.42
-6.42
6.42
-6.42
-6.42
-6.42
-6.42
-6.42
6.42
6.42
-6.41
-6.41
-6.41
6.41
-6.41
-6.41
-6.41
-6.41
6.41
6.41
-6.41
6.41
-6.41
-6.41
-6.41
6.41
6.41
-6.41
6.41
4V74
Observed( ) Ideal( )
o
116.04
114.74
117.40
123.52
117.40
123.52
113.34
113.79
120.91
117.70
117.40
113.79
113.79
113.79
117.40
120.91
117.40
117.41
117.41
113.79
117.41
120.91
113.33
113.79
104.77
117.41
113.33
113.79
113.79
114.75
114.75
120.91
106.63
113.80
120.90
113.80
113.80
116.06
120.90
113.33
113.80
113.32
o
119.90
118.60
121.90
120.30
121.90
120.30
108.20
117.00
117.70
122.20
121.90
117.00
117.00
117.00
121.90
117.70
121.90
121.90
121.90
117.00
121.90
117.70
108.20
117.00
109.90
121.90
108.20
117.00
117.00
118.60
118.60
117.70
101.50
117.00
117.70
117.00
117.00
119.90
117.70
108.20
117.00
108.20
Continued on next page...
Page 119
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
21
54
54
21
54
21
21
54
54
54
24
54
54
24
24
54
54
54
54
21
54
54
54
21
54
3
54
54
54
37
54
54
54
54
54
54
55
54
BA
BA
BA
BA
AA
BA
BA
AA
BA
AA
AA
BA
BA
BA
A3
BA
BA
A3
A3
BA
BA
BA
BA
AA
BA
BA
BA
AA
BA
AD
BA
BA
BA
BO
BA
BA
BA
BA
BA
BA
BB
BA
941
1446
1998
2403
421
109
354
952
322
74
1327
173
1330
2795
74
1169
1287
17
36
888
1385
2176
2534
1296
603
1399
2761
1274
2443
55
833
1396
1759
111
182
240
692
1140
2287
2406
73
111
A
C
A
C
U
C
A
U
A
A
C
A
C
C
A
A
A
C
A
C
A
A
A
C
A
C
A
A
C
ARG
A
U
A
ARG
A
C
C
C
A
A
A
A
Atoms
C4-C5-C6
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N1
N3-C2-O2
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
N1-C6-N6
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
Z
-6.40
-6.40
-6.40
6.40
6.40
-6.40
6.40
6.40
-6.40
-6.40
-6.40
6.40
-6.40
-6.40
-6.40
6.40
6.40
-6.39
-6.39
-6.39
6.39
-6.39
-6.39
-6.39
-6.39
-6.39
-6.39
-6.39
-6.39
6.39
6.39
6.39
-6.39
6.39
-6.39
-6.39
-6.39
-6.39
6.39
6.39
-6.39
-6.38
4V74
Observed( ) Ideal( )
o
113.80
117.42
113.80
113.32
113.32
117.42
120.90
113.32
113.80
113.80
117.42
120.90
117.42
117.42
113.80
120.90
120.90
117.42
113.80
117.42
120.90
114.76
113.80
117.43
113.80
117.42
113.80
113.81
117.43
123.49
120.89
113.31
113.81
123.49
113.81
117.43
117.43
117.43
120.89
120.89
113.81
113.81
o
117.00
121.90
117.00
108.20
108.20
121.90
117.70
108.20
117.00
117.00
121.90
117.70
121.90
121.90
117.00
117.70
117.70
121.90
117.00
121.90
117.70
118.60
117.00
121.90
117.00
121.90
117.00
117.00
121.90
120.30
117.70
108.20
117.00
120.30
117.00
121.90
121.90
121.90
117.70
117.70
117.00
117.00
Continued on next page...
Page 120
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
54
54
24
39
54
54
54
54
21
21
21
54
54
54
54
54
20
21
54
54
21
54
54
54
54
54
54
54
54
54
21
54
54
21
21
54
21
21
26
BA
BA
AA
BA
BA
A3
BQ
BA
BA
BA
BA
AA
AA
AA
BA
BA
BA
BA
BA
AU
AA
BA
BA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
AA
AA
BA
AA
AA
BD
2453
2646
708
328
1548
48
27
118
529
610
2350
448
883
1035
861
1264
1729
1744
2456
32
873
278
716
621
226
125
183
209
1349
2051
2462
2547
2800
572
1284
2019
393
1367
2425
176
1171
179
A
C
C
U
A
U
ARG
A
A
C
C
A
C
A
A
A
U
A
C
ARG
A
A
A
A
A
A
C
C
C
A
C
A
A
A
A
A
A
C
A
C
A
ARG
Atoms
N1-C6-N6
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
O4'-C1'-N1
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
N1-C6-N6
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
C4-C5-C6
NE-CZ-NH1
Z
-6.38
6.38
-6.38
6.38
-6.38
6.38
6.38
-6.38
6.38
-6.38
6.38
6.38
-6.38
-6.38
-6.38
-6.38
-6.38
6.38
-6.38
6.38
-6.38
-6.38
-6.38
-6.38
6.38
-6.37
-6.37
-6.37
-6.37
-6.37
-6.37
-6.37
-6.37
6.37
-6.37
-6.37
-6.37
-6.37
6.37
-6.37
-6.37
6.37
4V74
Observed( ) Ideal( )
o
114.77
113.31
117.43
113.31
113.81
113.31
123.49
113.81
120.89
117.43
113.30
120.89
117.44
113.81
113.81
113.81
117.73
120.89
117.44
123.49
113.81
114.77
113.81
113.81
120.89
113.81
117.44
117.44
117.44
113.81
117.44
113.81
113.81
120.89
113.81
113.81
113.81
117.44
120.89
117.44
113.82
123.48
o
118.60
108.20
121.90
108.20
117.00
108.20
120.30
117.00
117.70
121.90
108.20
117.70
121.90
117.00
117.00
117.00
122.20
117.70
121.90
120.30
117.00
118.60
117.00
117.00
117.70
117.00
121.90
121.90
121.90
117.00
121.90
117.00
117.00
117.70
117.00
117.00
117.00
121.90
117.70
121.90
117.00
120.30
Continued on next page...
Page 121
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
54
54
54
54
21
54
54
54
54
54
54
21
21
54
54
54
54
54
54
54
21
21
22
54
54
54
54
54
56
24
54
54
54
55
24
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
BA
AA
AA
A1
BA
BA
BA
BA
BA
B5
A3
BA
BA
BA
BB
A3
BA
BA
301
675
685
1014
1668
1760
412
680
1126
1427
699
761
1920
418
1952
2712
248
1246
676
819
1392
1419
73
2037
2103
507
623
71
1289
1437
2590
917
1987
71
72
1810
2099
2469
77
58
2476
2874
G
A
A
A
A
C
A
C
A
C
A
A
C
C
A
C
C
A
A
A
A
A
A
A
C
C
C
C
C
C
A
A
A
ARG
C
A
U
A
U
A
A
C
Atoms
O4'-C1'-N9
C4-C5-C6
C4-C5-C6
N1-C6-N6
C4-C5-C6
N3-C2-O2
N1-C6-N6
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
N1-C6-N6
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
N1-C6-N6
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
Z
6.37
-6.37
-6.37
-6.37
-6.37
-6.37
-6.37
-6.37
-6.37
-6.36
6.36
6.36
-6.36
6.36
-6.36
-6.36
-6.36
6.36
6.36
6.36
-6.36
6.36
-6.36
-6.36
-6.36
-6.36
-6.36
-6.36
-6.36
6.36
-6.36
-6.36
-6.36
6.36
-6.35
-6.35
-6.35
-6.35
6.35
-6.35
-6.35
-6.35
4V74
Observed( ) Ideal( )
o
113.30
113.82
113.82
114.78
113.82
117.44
114.78
117.44
113.82
117.45
120.88
120.88
117.44
113.29
113.82
117.45
117.45
120.88
120.88
120.88
113.82
120.88
113.82
113.82
117.45
117.45
117.45
117.45
117.45
113.28
113.82
114.79
113.82
123.48
117.45
114.79
117.75
113.82
113.28
113.82
113.82
117.45
o
108.20
117.00
117.00
118.60
117.00
121.90
118.60
121.90
117.00
121.90
117.70
117.70
121.90
108.20
117.00
121.90
121.90
117.70
117.70
117.70
117.00
117.70
117.00
117.00
121.90
121.90
121.90
121.90
121.90
108.20
117.00
118.60
117.00
120.30
121.90
118.60
122.20
117.00
108.20
117.00
117.00
121.90
Continued on next page...
Page 122
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
22
54
54
54
21
21
21
54
21
21
54
21
21
21
38
54
54
21
54
21
54
54
54
54
54
21
54
54
54
54
21
21
25
54
21
22
54
54
54
54
54
AA
A1
BA
BA
BA
AA
AA
AA
BA
AA
AA
BA
AA
AA
AA
BP
BA
BA
AA
BA
AA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
AA
AA
BC
BA
AA
A1
BA
BA
BA
BA
BA
781
73
145
653
788
186
282
1179
2564
1248
1531
1428
132
236
263
102
1197
1208
478
1142
1303
1536
1801
63
265
2077
1146
462
504
1278
1395
831
1329
176
1626
882
48
233
2381
1143
1189
1268
A
A
C
U
A
C
A
A
A
A
A
C
C
A
A
ARG
G
C
A
A
C
C
A
A
A
A
A
C
A
C
A
A
A
ARG
A
C
C
A
A
A
A
A
Atoms
N1-C6-N6
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
N1-C6-N6
C4-C5-C6
NE-CZ-NH1
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
C4-C5-C6
O4'-C1'-N9
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
C4-C5-C6
NE-CZ-NH2
N1-C6-N6
N3-C2-O2
N3-C2-O2
C5-C6-N1
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
Z
-6.35
-6.35
-6.35
-6.35
6.35
-6.35
6.35
6.35
6.35
-6.35
6.35
6.35
-6.34
-6.34
-6.34
6.34
6.34
-6.34
-6.34
-6.34
-6.34
-6.34
6.34
-6.34
6.34
-6.34
-6.34
-6.34
-6.34
6.34
-6.34
6.33
-6.33
-6.33
-6.33
-6.33
-6.33
6.33
-6.33
-6.33
6.33
-6.33
4V74
Observed( ) Ideal( )
o
114.79
113.83
117.45
117.75
120.87
117.46
120.87
120.87
120.87
113.83
120.87
113.28
117.46
114.79
113.83
123.47
113.28
117.46
113.83
113.83
117.46
117.46
120.87
113.83
113.27
113.83
113.83
117.47
113.83
113.27
113.83
120.87
113.83
117.13
114.80
117.47
117.47
120.87
113.83
113.83
120.86
113.83
o
118.60
117.00
121.90
122.20
117.70
121.90
117.70
117.70
117.70
117.00
117.70
108.20
121.90
118.60
117.00
120.30
108.20
121.90
117.00
117.00
121.90
121.90
117.70
117.00
108.20
117.00
117.00
121.90
117.00
108.20
117.00
117.70
117.00
120.30
118.60
121.90
121.90
117.70
117.00
117.00
117.70
117.00
Continued on next page...
Page 123
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
54
54
54
21
54
54
54
55
54
54
54
54
54
54
54
54
2
21
54
54
54
54
54
54
54
54
10
21
24
21
54
54
17
54
21
21
54
21
21
BA
AA
AA
BA
BA
BA
AA
BA
BA
BA
BB
BA
BA
BA
BA
BA
BA
BA
BA
AC
AA
BA
BA
BA
BA
BA
BA
BA
BA
AK
AA
A3
AA
BA
BA
AR
BA
AA
AA
BA
AA
AA
2902
328
374
105
582
2435
676
914
1285
2270
108
1462
1889
2442
719
1749
1843
1977
2873
155
1172
510
670
1288
1565
1785
2420
2459
2497
68
50
16
207
624
844
62
190
1110
353
1769
498
1429
C
C
A
C
A
A
A
G
A
A
A
C
A
C
C
A
C
A
A
ARG
C
C
A
G
C
A
C
A
A
ARG
A
C
C
C
A
ARG
A
A
A
U
A
A
Atoms
N3-C2-O2
N1-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
O4'-C1'-N9
C4-C5-C6
C5-C6-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
C4-C5-C6
N1-C6-O6
N3-C2-O2
C5-C6-N1
N3-C2-O2
N1-C6-N6
C4-C5-C6
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
NE-CZ-NH2
C5-C6-N1
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
Z
-6.33
6.33
6.33
-6.33
6.33
6.33
-6.33
6.33
-6.33
6.33
-6.33
-6.33
-6.33
-6.33
-6.33
6.33
-6.33
6.33
6.33
6.32
-6.32
-6.32
-6.32
-6.32
-6.32
6.32
-6.32
-6.32
-6.32
6.32
6.32
-6.32
-6.32
-6.32
6.32
-6.32
6.32
-6.32
-6.31
6.31
-6.31
6.31
4V74
Observed( ) Ideal( )
o
117.47
122.70
120.86
117.47
120.86
120.86
113.84
113.26
113.84
120.86
113.84
117.47
113.84
117.47
117.47
120.86
117.47
120.86
120.86
123.46
117.47
117.47
113.84
116.11
117.47
120.86
117.47
114.81
113.84
123.46
120.86
117.47
117.47
117.48
120.86
117.14
120.86
113.84
113.84
113.25
113.84
120.86
o
121.90
118.90
117.70
121.90
117.70
117.70
117.00
108.20
117.00
117.70
117.00
121.90
117.00
121.90
121.90
117.70
121.90
117.70
117.70
120.30
121.90
121.90
117.00
119.90
121.90
117.70
121.90
118.60
117.00
120.30
117.70
121.90
121.90
121.90
117.70
120.30
117.70
117.00
117.00
108.20
117.00
117.70
Continued on next page...
Page 124
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
21
21
54
21
54
54
54
21
54
54
54
19
21
24
54
54
22
41
54
54
54
21
21
54
54
54
54
21
54
54
54
54
22
54
54
54
54
21
BA
BA
BA
BA
AA
AA
BA
AA
BA
BA
BA
AA
BA
BA
BA
AT
AA
A3
BA
BA
A1
BS
BA
BA
BA
AA
AA
BA
BA
BA
BA
AA
BA
BA
BA
BA
A1
BA
BA
BA
BA
AA
21
1044
1353
31
418
539
557
599
2197
1128
1267
162
1152
2038
2766
9
1346
11
2163
2264
27
8
353
414
995
309
1502
2725
436
1221
1665
1317
1398
1347
1871
1927
14
262
973
13
2031
179
A
C
A
C
C
A
C
C
U
G
U
A
C
G
A
ARG
A
A
A
C
C
ARG
C
C
C
A
A
A
C
C
A
C
C
A
A
A
A
A
A
A
A
A
Atoms
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
N3-C2-N2
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
N1-C6-O6
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C5-C6-N1
O4'-C1'-N9
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
N1-C2-O2
C3'-C2'-C1'
C4-C5-C6
C4-C5-C6
C5-C6-N1
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
C1'-O4'-C4'
C4-C5-C6
Z
-6.31
-6.31
-6.31
-6.31
-6.31
-6.31
-6.31
-6.31
6.31
-6.30
6.30
-6.30
-6.30
-6.30
-6.30
6.30
-6.30
-6.30
6.30
-6.30
-6.30
6.30
6.30
-6.30
-6.30
6.30
6.30
-6.30
-6.30
-6.30
6.30
6.29
6.29
-6.29
-6.29
6.29
6.29
6.29
-6.29
-6.29
-6.29
-6.29
4V74
Observed( ) Ideal( )
o
113.84
117.48
113.84
117.48
117.48
113.84
117.48
117.48
113.25
115.49
113.24
113.85
117.49
116.12
113.85
123.45
113.85
113.85
113.24
117.49
117.49
123.45
113.24
117.49
117.49
120.85
113.24
113.85
117.49
117.49
120.85
122.68
106.54
113.85
113.85
120.85
120.84
120.85
113.85
113.86
104.87
113.86
o
117.00
121.90
117.00
121.90
121.90
117.00
121.90
121.90
108.20
119.90
108.20
117.00
121.90
119.90
117.00
120.30
117.00
117.00
108.20
121.90
121.90
120.30
108.20
121.90
121.90
117.70
108.20
117.00
121.90
121.90
117.70
118.90
101.50
117.00
117.00
117.70
117.70
117.70
117.00
117.00
109.90
117.00
Continued on next page...
Page 125
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
54
54
54
55
1
21
54
54
54
54
22
34
54
54
54
54
54
54
21
39
54
54
54
18
26
54
54
54
54
21
21
21
31
54
21
39
54
21
21
54
AA
AA
BA
BA
BA
BB
AB
AA
BA
BA
BA
BA
A1
BL
BA
BA
BA
BA
BA
BA
AA
BQ
BA
BA
BA
AS
BD
BA
BA
BA
BA
AA
AA
AA
BI
BA
AA
BQ
BA
AA
AA
BA
262
356
126
1388
1692
113
94
1325
8
270
1226
2288
23
60
265
601
362
804
1321
2354
1408
63
918
1362
1934
31
46
41
61
1117
1905
573
779
1109
133
1686
780
52
2226
395
1032
1427
A
A
A
G
U
C
ARG
C
C
A
A
A
A
ARG
A
C
A
A
A
C
A
ARG
A
C
C
ARG
ARG
C
C
C
C
A
C
C
ARG
C
A
ARG
C
C
G
A
Atoms
C4-C5-C6
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
O4'-C1'-N1
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
NE-CZ-NH1
N1-C6-N6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
NE-CZ-NH1
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
N1-C2-O2
N1-C2-O2
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
N1-C6-O6
P-O3'-C3'
Z
-6.29
-6.29
-6.29
6.29
6.29
-6.29
6.29
-6.29
-6.29
-6.29
-6.29
-6.29
-6.28
6.28
-6.28
-6.28
-6.28
-6.28
-6.28
-6.28
-6.28
6.28
-6.28
-6.28
6.28
6.28
6.28
-6.28
-6.28
-6.28
-6.28
-6.28
6.28
6.28
6.28
-6.27
-6.27
6.27
-6.27
-6.27
-6.27
6.27
4V74
Observed( ) Ideal( )
o
113.86
113.86
113.86
113.23
113.23
117.50
123.44
117.50
117.50
113.86
113.86
113.86
113.86
123.44
114.83
117.50
113.86
113.86
113.86
117.50
113.86
123.44
113.86
117.50
113.22
123.44
123.44
117.51
117.51
117.51
117.51
113.86
122.67
122.67
123.44
117.51
113.86
123.44
117.51
117.51
116.14
127.22
o
117.00
117.00
117.00
108.20
108.20
121.90
120.30
121.90
121.90
117.00
117.00
117.00
117.00
120.30
118.60
121.90
117.00
117.00
117.00
121.90
117.00
120.30
117.00
121.90
108.20
120.30
120.30
121.90
121.90
121.90
121.90
117.00
118.90
118.90
120.30
121.90
117.00
120.30
121.90
121.90
119.90
119.70
Continued on next page...
Page 126
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
54
54
54
54
21
54
54
54
54
54
21
54
54
21
50
54
54
54
54
54
54
54
21
54
54
18
54
54
54
54
21
21
22
54
54
54
54
21
21
BA
AA
AA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
AA
BA
BA
AA
B1
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
AS
BA
BA
BA
BA
AA
AA
A1
BA
BA
BA
BA
AA
AA
2385
549
635
1260
1320
1706
2657
545
1451
2332
2395
645
2467
1162
556
1370
308
43
1158
1940
1304
2794
2301
2364
2480
1237
602
1990
80
199
213
1503
2787
312
414
70
225
1545
1943
2001
1433
1507
C
C
A
A
C
C
A
C
C
C
C
C
C
C
A
C
C
ARG
C
U
A
C
C
C
C
C
A
C
ARG
A
A
A
C
C
A
C
C
A
U
C
A
A
Atoms
N3-C2-O2
N1-C2-O2
C4-C5-C6
C5-C6-N1
N1-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
C1'-O4'-C4'
C5-C6-N1
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C5-C6-N1
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
Z
-6.27
6.27
-6.27
6.27
6.27
-6.27
6.27
-6.27
6.27
6.27
-6.27
6.27
-6.27
-6.26
6.26
-6.26
-6.26
6.26
-6.26
-6.26
6.26
-6.26
-6.26
6.26
-6.26
-6.26
-6.26
-6.26
6.25
-6.25
6.25
6.25
-6.25
-6.25
-6.25
-6.25
-6.25
6.25
-6.25
-6.25
-6.25
-6.25
4V74
Observed( ) Ideal( )
o
117.51
122.66
113.86
120.83
122.66
117.51
120.83
117.51
122.66
113.21
117.51
113.21
117.51
117.52
120.83
117.52
117.52
123.43
117.52
104.89
120.83
117.52
117.52
113.21
117.52
117.52
113.87
117.52
123.43
113.87
120.83
120.83
117.52
117.52
113.88
117.53
117.53
120.83
117.82
117.52
113.88
113.88
o
121.90
118.90
117.00
117.70
118.90
121.90
117.70
121.90
118.90
108.20
121.90
108.20
121.90
121.90
117.70
121.90
121.90
120.30
121.90
109.90
117.70
121.90
121.90
108.20
121.90
121.90
117.00
121.90
120.30
117.00
117.70
117.70
121.90
121.90
117.00
121.90
121.90
117.70
122.20
121.90
117.00
117.00
Continued on next page...
Page 127
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
54
54
54
1
21
54
54
54
54
54
54
54
54
21
54
54
54
54
54
54
54
54
54
21
21
54
54
54
21
21
21
54
21
54
54
54
54
54
54
BA
BA
AA
BA
BA
BA
AB
AA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
AA
AA
AA
BA
AA
BA
BA
BA
BA
BA
BA
1525
1728
262
11
670
2870
138
756
439
479
508
620
897
1515
1806
236
401
34
348
454
1382
1583
172
1494
1591
2300
6
1407
2178
2188
2710
423
509
1214
2439
1398
1014
1472
1998
2064
1735
2089
A
C
A
C
A
C
ARG
C
A
A
A
G
C
A
C
C
C
U
A
A
G
A
A
A
A
C
G
C
C
U
C
G
A
C
A
A
A
C
A
C
A
C
Atoms
C5-C6-N1
N3-C2-O2
N1-C6-N6
O4'-C1'-N1
P-O3'-C3'
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
C5-C6-N1
C5-C6-N1
N1-C6-N6
N3-C4-C5
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
C5-C6-N1
O4'-C1'-N9
C4-C5-C6
C5-C6-N1
C4-C5-C6
C1'-O4'-C4'
N3-C2-O2
N3-C2-N2
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N9
C4-C5-C6
N1-C2-O2
O4'-C1'-N9
C4-C5-C6
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
Z
6.25
-6.25
-6.25
6.25
6.25
-6.25
6.25
-6.25
6.25
6.25
-6.25
-6.25
-6.25
-6.25
-6.25
-6.25
-6.24
-6.24
6.24
6.24
6.24
-6.24
6.24
-6.24
-6.24
-6.24
-6.24
-6.24
-6.24
6.24
-6.24
6.24
-6.24
6.24
6.24
-6.24
6.24
6.24
6.24
-6.24
-6.23
-6.23
4V74
Observed( ) Ideal( )
o
120.83
117.53
114.85
113.20
127.20
117.53
123.42
117.53
120.82
120.82
114.85
125.48
117.53
113.88
117.53
117.53
117.53
117.83
120.82
120.82
113.19
113.88
120.82
113.88
104.91
117.53
115.53
117.53
117.53
113.19
117.53
113.19
113.88
122.64
113.19
113.88
120.82
113.19
120.82
117.53
113.88
117.54
o
117.70
121.90
118.60
108.20
119.70
121.90
120.30
121.90
117.70
117.70
118.60
128.60
121.90
117.00
121.90
121.90
121.90
122.20
117.70
117.70
108.20
117.00
117.70
117.00
109.90
121.90
119.90
121.90
121.90
108.20
121.90
108.20
117.00
118.90
108.20
117.00
117.70
108.20
117.70
121.90
117.00
121.90
Continued on next page...
Page 128
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
21
21
21
21
21
24
54
54
10
54
54
54
51
54
21
54
54
54
54
54
21
21
54
24
54
54
54
54
54
54
21
25
54
54
21
21
28
54
54
21
AA
AA
AA
AA
AA
AA
AA
A3
BA
BA
AK
BA
BA
BA
B2
BA
AA
BA
BA
BA
BA
BA
AA
AA
BA
A3
BA
BA
BA
BA
BA
BA
AA
BC
BA
BA
AA
AA
BF
BA
BA
AA
34
286
864
1059
525
807
1320
29
1415
1507
12
483
779
996
12
523
1069
238
330
1312
1585
1762
792
1529
1866
49
2616
127
815
1237
1597
1908
267
268
820
2883
167
1250
147
418
2799
1234
C
C
A
C
C
A
C
C
U
C
ARG
A
U
A
ARG
C
C
C
A
U
C
A
A
G
A
C
C
A
C
A
A
C
C
ARG
A
A
A
A
ARG
C
A
C
Atoms
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
C5-C6-N1
P-O3'-C3'
N3-C2-O2
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
O4'-C1'-N9
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
N1-C6-N6
C4-C5-C6
C4-C5-C6
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
N3-C2-O2
Z
-6.23
-6.23
-6.23
-6.23
-6.23
-6.23
-6.23
-6.23
6.23
-6.23
-6.23
6.23
6.23
-6.23
6.23
-6.23
6.22
-6.22
6.22
6.22
-6.22
-6.22
-6.22
6.22
-6.22
-6.22
-6.22
-6.22
-6.22
-6.22
6.22
-6.22
-6.22
6.22
-6.22
-6.22
-6.22
-6.22
6.22
-6.22
-6.22
-6.21
4V74
Observed( ) Ideal( )
o
117.54
117.54
113.88
117.54
117.54
113.89
117.54
117.54
113.18
117.54
117.19
120.81
113.18
113.89
123.41
117.54
113.18
117.54
120.81
127.17
117.54
113.89
113.89
113.18
113.89
117.55
117.55
113.89
117.55
113.89
113.18
117.55
117.55
123.41
114.87
113.89
113.89
113.89
123.41
117.55
113.89
117.55
o
121.90
121.90
117.00
121.90
121.90
117.00
121.90
121.90
108.20
121.90
120.30
117.70
108.20
117.00
120.30
121.90
108.20
121.90
117.70
119.70
121.90
117.00
117.00
108.20
117.00
121.90
121.90
117.00
121.90
117.00
108.20
121.90
121.90
120.30
118.60
117.00
117.00
117.00
120.30
121.90
117.00
121.90
Continued on next page...
Page 129
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
54
21
54
54
54
21
21
22
54
21
21
21
21
21
21
21
21
54
54
54
54
2
21
54
54
54
54
12
21
21
21
21
54
54
54
10
54
54
21
AA
BA
BA
BA
AA
BA
BA
BA
AA
AA
A1
BA
AA
AA
AA
AA
AA
AA
AA
AA
BA
BA
BA
BA
AC
AA
BA
BA
BA
BA
AM
AA
AA
AA
AA
BA
BA
BA
AK
BA
BA
AA
1446
89
1705
2347
1012
933
972
2222
744
846
70
840
16
1105
461
679
1027
1101
1101
1429
124
1447
2352
2538
125
817
314
964
1157
1983
112
1201
1262
1311
1501
604
2059
2426
127
165
902
1520
A
A
A
C
A
A
A
C
C
G
C
C
A
A
A
C
C
A
A
A
G
C
A
C
ARG
C
C
C
G
G
ARG
A
C
A
C
G
A
A
ARG
A
C
C
Atoms
N1-C6-N6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
C1'-O4'-C4'
P-O3'-C3'
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
N1-C2-O2
P-O3'-C3'
C4-C5-C6
C4-C5-C6
N3-C2-N2
N3-C2-O2
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
N3-C2-O2
O4'-C1'-N9
N3-C2-N2
NE-CZ-NH1
P-O3'-C3'
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5'-C4'-O4'
C4-C5-C6
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
N3-C2-O2
Z
-6.21
-6.21
-6.21
-6.21
-6.21
-6.21
-6.21
6.21
-6.21
-6.21
6.21
-6.21
-6.21
-6.21
-6.21
-6.21
6.21
6.21
-6.21
-6.21
-6.21
-6.21
6.21
-6.21
6.21
-6.21
-6.21
-6.21
6.21
-6.21
6.20
6.20
-6.20
6.20
-6.20
6.20
-6.20
6.20
6.20
6.20
-6.20
-6.20
4V74
Observed( ) Ideal( )
o
114.87
113.89
113.89
117.55
113.89
113.89
113.89
113.17
117.55
104.93
127.15
117.55
113.89
113.89
113.90
117.56
122.62
127.15
113.90
113.90
115.55
117.55
120.80
117.55
123.40
117.56
117.56
117.56
113.17
115.56
123.40
127.14
117.56
120.80
117.56
116.55
113.90
120.80
123.40
120.80
117.56
117.56
o
118.60
117.00
117.00
121.90
117.00
117.00
117.00
108.20
121.90
109.90
119.70
121.90
117.00
117.00
117.00
121.90
118.90
119.70
117.00
117.00
119.90
121.90
117.70
121.90
120.30
121.90
121.90
121.90
108.20
119.90
120.30
119.70
121.90
117.70
121.90
109.10
117.00
117.70
120.30
117.70
121.90
121.90
Continued on next page...
Page 130
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
35
41
54
54
54
54
54
54
21
54
21
21
41
54
54
54
54
54
54
21
29
21
54
54
54
21
21
21
54
54
45
21
54
54
21
54
54
54
54
BA
BA
AA
BM
BS
BA
BA
BA
BA
BA
BA
AA
BA
AA
AA
BS
BA
BA
BA
BA
BA
BA
AA
BG
AA
BA
BA
BA
AA
AA
AA
BA
BA
BW
AA
BA
BA
AA
BA
BA
BA
BA
1275
1818
95
59
18
184
246
666
1075
1080
1969
1167
1453
501
1319
11
670
994
119
119
480
2169
1248
169
1141
1111
1970
1618
443
1071
1468
935
2558
74
1229
62
1978
123
269
758
761
1070
A
U
C
ARG
ARG
C
C
A
C
A
A
A
A
C
A
ARG
A
C
A
A
A
A
A
ARG
C
A
A
A
C
C
A
C
C
LYS
A
U
A
U
C
C
A
A
Atoms
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
NE-CZ-NH1
NE-CZ-NH1
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
N1-C2-O2
C5-C6-N1
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
C4-C5-C6
O4'-C1'-N9
N1-C6-N6
O4'-C1'-N9
C1'-O4'-C4'
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C-N-CA
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C5'-C4'-C3'
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
Z
-6.20
6.20
-6.20
6.20
6.20
6.20
-6.20
-6.20
-6.20
6.20
6.20
-6.20
-6.20
6.20
6.20
6.20
6.20
-6.20
-6.19
6.19
-6.19
6.19
-6.19
6.19
-6.19
-6.19
-6.19
-6.19
-6.19
-6.19
-6.19
-6.19
6.19
6.19
-6.18
6.18
-6.18
-6.18
-6.18
-6.18
-6.18
-6.18
4V74
Observed( ) Ideal( )
o
113.90
113.16
117.56
123.40
123.40
113.16
117.56
113.90
117.56
120.80
120.80
113.90
113.90
122.62
120.80
123.40
120.80
117.56
113.90
113.16
114.88
113.16
104.94
123.40
117.57
113.90
113.91
113.91
117.57
117.57
113.91
117.57
113.15
137.17
113.91
113.15
113.91
106.11
117.57
117.57
113.91
113.91
o
117.00
108.20
121.90
120.30
120.30
108.20
121.90
117.00
121.90
117.70
117.70
117.00
117.00
118.90
117.70
120.30
117.70
121.90
117.00
108.20
118.60
108.20
109.90
120.30
121.90
117.00
117.00
117.00
121.90
121.90
117.00
121.90
108.20
121.70
117.00
108.20
117.00
116.00
121.90
121.90
117.00
117.00
Continued on next page...
Page 131
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
15
54
21
22
54
54
22
21
54
21
54
21
22
54
21
39
54
54
54
54
21
21
21
54
55
21
54
54
29
54
54
54
54
54
10
54
21
54
54
6
BA
BA
AP
BA
AA
A1
BA
BA
A1
AA
BA
AA
BA
AA
A1
BA
AA
BQ
BA
BA
BA
BA
AA
AA
AA
BA
BB
AA
BA
BA
BG
BA
BA
BA
BA
BA
AK
BA
AA
BA
BA
AG
1240
1306
70
609
735
32
886
2334
68
726
1253
155
878
36
41
282
52
2
957
2165
893
1996
272
1016
1196
384
11
673
749
933
2
50
2662
1550
873
2478
12
1378
961
1269
1582
52
U
C
ARG
A
C
C
A
U
C
C
A
A
A
C
A
A
C
ARG
C
C
C
C
C
A
A
A
C
A
A
A
ARG
U
A
C
C
A
ARG
A
U
A
C
ARG
Atoms
O4'-C1'-N1
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
C5-C6-N1
N3-C2-O2
NE-CZ-NH2
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
N1-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N1-C2-O2
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
NE-CZ-NH1
N3-C2-O2
N1-C6-N6
N3-C2-O2
N3-C2-O2
C4-C5-C6
NE-CZ-NH2
O4'-C1'-N9
C1'-O4'-C4'
C5-C6-N1
N1-C2-O2
NE-CZ-NH1
Z
6.18
-6.18
6.18
-6.18
-6.18
-6.18
-6.18
6.18
-6.18
-6.18
-6.18
-6.17
-6.17
-6.17
6.17
6.17
-6.17
6.17
-6.17
-6.17
-6.17
-6.17
6.17
-6.17
-6.17
-6.17
6.17
-6.17
-6.17
6.17
6.17
-6.17
-6.17
-6.16
-6.16
-6.16
6.16
6.16
-6.16
6.16
6.16
6.16
4V74
Observed( ) Ideal( )
o
113.15
117.57
123.39
113.91
117.57
117.57
113.91
113.14
117.58
117.58
113.91
113.91
113.91
117.58
120.79
120.79
117.58
123.39
117.58
117.58
117.58
117.58
122.60
113.92
113.92
113.92
122.60
113.92
113.92
113.13
123.38
117.88
114.90
117.58
117.59
113.92
123.38
113.13
104.97
120.78
122.59
123.38
o
108.20
121.90
120.30
117.00
121.90
121.90
117.00
108.20
121.90
121.90
117.00
117.00
117.00
121.90
117.70
117.70
121.90
120.30
121.90
121.90
121.90
121.90
118.90
117.00
117.00
117.00
118.90
117.00
117.00
108.20
120.30
122.20
118.60
121.90
121.90
117.00
120.30
108.20
109.90
117.70
118.90
120.30
Continued on next page...
Page 132
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
24
55
21
54
54
21
21
43
54
54
54
30
47
21
54
54
54
54
21
21
54
54
54
54
54
54
21
8
54
54
54
21
54
21
21
54
54
54
21
21
BA
BA
A3
BB
AA
BA
BA
AA
AA
BU
BA
BA
BA
BH
BY
AA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
AA
AI
BA
BA
BA
AA
BA
AA
AA
BA
BA
BA
AA
AA
1832
2005
68
87
1197
163
1261
135
719
85
486
2483
1665
51
48
1388
908
1367
2626
2745
1103
1275
198
300
1323
1463
1814
2114
6
84
1780
1924
2425
1248
1972
320
1280
509
983
1902
60
663
C
A
C
U
A
C
C
C
C
ARG
C
C
A
ARG
ARG
C
C
A
C
C
C
A
C
A
C
C
G
A
G
ARG
A
C
A
A
G
A
A
C
A
C
A
A
Atoms
N3-C2-O2
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
N1-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
C4-C5-C6
NE-CZ-NH1
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
N1-C6-N6
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
N3-C2-O2
N1-C6-O6
O4'-C1'-N9
C1'-O4'-C4'
NE-CZ-NH1
C4-C5-C6
N3-C2-O2
C4-C5-C6
C5-C6-N1
N1-C6-O6
C4-C5-C6
C4-C5-C6
C1'-O4'-C4'
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
Z
-6.16
-6.16
-6.16
6.16
-6.15
6.15
-6.15
-6.15
-6.15
6.15
-6.15
-6.15
-6.15
6.15
6.15
-6.15
-6.15
-6.15
-6.15
-6.15
-6.15
6.14
-6.14
6.14
-6.14
-6.14
-6.14
6.14
-6.14
6.14
-6.14
-6.14
-6.14
6.14
-6.14
-6.14
-6.14
-6.14
-6.14
-6.14
-6.13
-6.13
4V74
Observed( ) Ideal( )
o
117.59
113.92
117.59
113.12
113.92
122.59
117.59
117.59
117.59
123.38
117.59
117.59
113.92
123.37
123.38
117.60
117.60
114.91
117.60
117.60
117.60
120.77
117.60
120.77
117.60
117.60
116.21
113.11
104.99
123.37
113.93
117.60
113.93
120.77
116.22
113.93
113.93
104.99
113.93
117.60
113.93
113.93
o
121.90
117.00
121.90
108.20
117.00
118.90
121.90
121.90
121.90
120.30
121.90
121.90
117.00
120.30
120.30
121.90
121.90
118.60
121.90
121.90
121.90
117.70
121.90
117.70
121.90
121.90
119.90
108.20
109.90
120.30
117.00
121.90
117.00
117.70
119.90
117.00
117.00
109.90
117.00
121.90
117.00
117.00
Continued on next page...
Page 133
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
54
21
21
21
22
22
54
54
54
55
21
54
54
54
54
54
21
54
21
54
54
54
21
21
54
54
54
54
54
21
54
54
54
54
54
54
54
54
54
AA
BA
BA
BA
AA
AA
AA
A1
A1
BA
BA
BA
BB
AA
BA
BA
BA
BA
BA
AA
BA
AA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
1412
582
587
1808
87
579
1508
30
60
2283
2781
233
56
33
36
1999
2320
2452
2591
1431
943
528
38
2247
2875
120
1151
2496
844
970
1050
2366
1195
1166
1994
2416
147
633
1351
1909
2774
273
C
A
C
A
C
A
A
C
C
C
A
A
G
A
G
C
U
C
C
A
A
C
A
A
C
A
A
C
A
U
A
A
C
G
C
C
C
A
C
C
C
G
Atoms
N3-C2-O2
C4-C5-C6
N3-C2-O2
O4'-C1'-N9
N3-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
N1-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
N1-C6-O6
C5-C6-N1
N3-C2-N2
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
N1-C2-O2
N1-C6-O6
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C1'-O4'-C4'
Z
-6.13
-6.13
-6.13
6.13
-6.13
6.13
-6.13
-6.13
6.13
-6.13
-6.13
-6.13
-6.13
6.13
-6.13
-6.13
-6.13
-6.13
-6.13
-6.12
-6.12
-6.12
-6.12
6.12
-6.12
-6.12
-6.12
-6.12
-6.12
6.12
-6.12
6.12
6.12
-6.12
-6.12
-6.12
-6.12
-6.12
6.12
-6.12
-6.12
-6.11
4V74
Observed( ) Ideal( )
o
117.61
113.93
117.61
113.11
117.61
120.77
113.93
117.61
122.58
117.61
113.94
113.94
116.22
120.76
115.61
117.61
117.91
117.61
117.61
113.94
113.94
117.61
113.94
120.76
117.61
113.94
113.94
117.62
113.94
113.10
113.94
120.76
122.57
116.23
117.62
117.62
117.62
113.94
113.09
117.62
117.62
105.01
o
121.90
117.00
121.90
108.20
121.90
117.70
117.00
121.90
118.90
121.90
117.00
117.00
119.90
117.70
119.90
121.90
122.20
121.90
121.90
117.00
117.00
121.90
117.00
117.70
121.90
117.00
117.00
121.90
117.00
108.20
117.00
117.70
118.90
119.90
121.90
121.90
121.90
117.00
108.20
121.90
121.90
109.90
Continued on next page...
Page 134
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
27
54
54
54
54
55
21
21
21
54
54
54
54
54
54
54
54
54
54
54
21
54
54
54
54
54
49
54
54
54
55
21
54
54
54
22
40
54
54
BA
AA
AA
BE
BA
BA
BA
BA
BB
AA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
B0
BA
BA
BA
BB
AA
BA
BA
BA
A1
BR
BA
BA
2176
400
1044
61
2466
2901
94
378
50
368
243
415
241
277
1021
1376
1957
2377
95
730
422
789
1372
1238
2030
2321
478
1049
1761
39
453
643
979
70
607
1057
1098
2637
72
21
63
1257
A
C
A
ARG
C
C
A
C
A
U
A
A
A
G
A
C
C
A
A
A
A
A
U
A
A
U
A
C
C
ARG
A
A
A
C
A
A
A
U
C
ARG
A
C
Atoms
C4-C5-C6
N3-C2-O2
C5-C6-N1
NE-CZ-NH2
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N1-C6-N6
O4'-C1'-N9
C4-C5-C6
N3-C2-O2
N3-C2-O2
O4'-C1'-N9
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
N3-C2-O2
NE-CZ-NH2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N1-C2-O2
C4-C5-C6
C4-C5-C6
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
Z
-6.11
-6.11
6.11
-6.11
-6.11
-6.11
6.11
-6.11
6.11
6.11
-6.11
-6.11
-6.11
6.11
-6.11
-6.11
-6.11
6.11
-6.10
-6.10
-6.10
-6.10
6.10
-6.10
-6.10
6.10
-6.10
-6.10
-6.10
6.09
-6.09
-6.09
-6.09
6.09
-6.09
-6.09
6.09
6.09
-6.09
6.09
6.09
-6.09
4V74
Observed( ) Ideal( )
o
113.94
117.62
120.76
117.25
117.62
117.62
120.75
117.62
120.75
113.08
113.95
113.95
114.94
113.08
113.95
117.63
117.63
113.08
113.95
113.95
113.95
113.95
113.08
113.95
113.95
113.08
113.95
117.63
117.63
123.35
113.95
113.95
113.95
122.56
113.95
113.95
120.75
113.07
117.64
123.34
120.75
117.64
o
117.00
121.90
117.70
120.30
121.90
121.90
117.70
121.90
117.70
108.20
117.00
117.00
118.60
108.20
117.00
121.90
121.90
108.20
117.00
117.00
117.00
117.00
108.20
117.00
117.00
108.20
117.00
121.90
121.90
120.30
117.00
117.00
117.00
118.90
117.00
117.00
117.70
108.20
121.90
120.30
117.70
121.90
Continued on next page...
Page 135
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
6
21
54
54
55
54
21
21
26
54
54
54
54
54
54
54
54
54
21
21
26
54
54
54
54
21
54
54
54
54
21
21
54
54
21
54
54
54
21
21
55
BA
AG
AA
BA
BA
BB
BA
AA
AA
BD
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
BD
BA
BA
BA
BA
AA
BA
BA
BA
BA
AA
AA
BA
BA
AA
BA
BA
BA
AA
AA
BB
44
94
1245
932
1291
63
1398
1204
1318
141
218
96
342
2606
275
1161
2447
2463
2695
35
1136
83
1031
2037
2143
2474
379
788
1469
1787
2559
101
490
922
2800
611
412
1547
1801
382
853
31
A
ARG
C
U
C
C
C
A
A
ARG
A
C
A
C
C
C
G
C
U
G
C
ARG
G
A
C
U
C
A
A
A
C
A
C
C
A
C
A
C
A
A
C
C
Atoms
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
N1-C2-O2
C5-C6-N1
C4-C5-C6
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N9
N3-C2-O2
O4'-C1'-N1
P-O3'-C3'
N1-C2-O2
NE-CZ-NH1
O4'-C1'-N9
C5-C6-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
N1-C6-N6
N1-C6-N6
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
Z
6.09
6.09
-6.09
6.09
6.09
-6.09
6.08
6.08
-6.08
6.08
6.08
-6.08
-6.08
-6.08
-6.08
6.08
6.08
-6.08
6.08
6.08
6.08
6.08
6.08
6.08
-6.08
-6.08
-6.08
-6.08
-6.08
-6.08
-6.08
-6.08
-6.08
-6.08
6.08
-6.07
6.07
-6.07
-6.07
-6.07
-6.07
-6.07
4V74
Observed( ) Ideal( )
o
120.74
123.34
117.64
113.07
122.55
117.64
122.55
120.74
113.96
123.34
120.74
117.64
113.96
117.64
117.64
113.06
113.06
117.64
113.06
126.99
122.55
123.34
113.06
120.74
117.64
117.94
117.65
113.96
114.95
114.95
117.65
113.96
117.65
117.65
120.74
117.65
120.74
117.65
113.96
113.96
117.65
117.65
o
117.70
120.30
121.90
108.20
118.90
121.90
118.90
117.70
117.00
120.30
117.70
121.90
117.00
121.90
121.90
108.20
108.20
121.90
108.20
119.70
118.90
120.30
108.20
117.70
121.90
122.20
121.90
117.00
118.60
118.60
121.90
117.00
121.90
121.90
117.70
121.90
117.70
121.90
117.00
117.00
121.90
121.90
Continued on next page...
Page 136
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
54
54
21
54
21
54
21
54
54
21
23
54
54
13
21
54
22
54
54
21
21
21
54
54
54
54
54
21
21
21
21
54
21
21
54
54
21
BA
BA
BA
BA
BA
BA
BA
AA
BA
AA
BA
AA
BA
BA
AA
A2
BA
BA
AN
AA
BA
A1
BA
BA
AA
AA
AA
BA
BA
BA
BA
BA
AA
AA
AA
AA
BA
AA
AA
BA
BA
AA
458
652
689
911
948
1641
2161
520
2327
699
756
1452
106
1641
436
82
1230
2531
85
1176
1640
65
988
2587
8
307
465
1335
1893
2058
2407
2651
935
946
1157
502
1658
196
503
16
1161
325
G
U
A
A
C
A
C
A
A
C
A
C
C
A
C
A
A
A
ARG
A
A
C
A
A
A
C
A
C
C
A
A
C
A
A
A
A
C
A
C
C
C
A
Atoms
O4'-C1'-N9
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
N1-C6-N6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N1-C6-N6
C5-C6-N1
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
N3-C2-O2
N1-C6-N6
C5-C6-N1
C4-C5-C6
C3'-C2'-C1'
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
C4-C5-C6
C4-C5-C6
N1-C6-N6
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
Z
6.07
6.07
-6.07
-6.07
-6.07
6.07
-6.07
6.07
-6.07
-6.07
-6.07
-6.07
-6.07
-6.07
-6.06
-6.06
6.06
-6.06
6.06
-6.06
-6.06
-6.06
-6.06
6.06
-6.06
6.06
-6.06
-6.06
6.06
-6.06
-6.06
-6.06
6.06
-6.06
-6.06
-6.06
-6.06
-6.05
-6.05
-6.05
-6.05
-6.05
4V74
Observed( ) Ideal( )
o
113.06
113.06
113.97
113.97
117.65
120.73
117.65
120.73
113.97
117.65
114.96
117.65
117.66
113.97
117.66
114.96
120.73
113.97
123.33
113.97
113.97
117.66
114.96
120.73
113.97
106.35
113.97
117.66
113.05
113.97
113.97
117.66
120.73
113.97
113.97
114.97
117.66
113.97
117.66
117.66
117.66
113.97
o
108.20
108.20
117.00
117.00
121.90
117.70
121.90
117.70
117.00
121.90
118.60
121.90
121.90
117.00
121.90
118.60
117.70
117.00
120.30
117.00
117.00
121.90
118.60
117.70
117.00
101.50
117.00
121.90
108.20
117.00
117.00
121.90
117.70
117.00
117.00
118.60
121.90
117.00
121.90
121.90
121.90
117.00
Continued on next page...
Page 137
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
54
21
54
54
54
54
54
55
41
54
54
54
54
54
1
54
54
3
54
54
55
6
54
54
23
54
21
21
54
54
54
54
54
54
54
10
21
54
21
21
BA
AA
BA
AA
BA
BA
BA
BA
BA
BB
BS
BA
BA
BA
BA
BA
AB
BA
BA
AD
BA
BA
BB
AG
BA
BA
A2
BA
AA
AA
BA
BA
BA
BA
BA
BA
BA
AK
AA
BA
AA
AA
2435
687
430
1513
195
1058
1387
2830
743
30
110
257
461
1439
1685
2155
25
937
1387
96
772
1495
91
91
417
470
87
1077
750
823
1118
2078
2477
2773
2811
2821
2174
55
452
105
73
913
A
A
A
A
A
U
A
C
A
C
ARG
C
C
A
C
U
LYS
C
A
ARG
C
A
C
ARG
C
A
U
A
C
C
C
C
U
C
G
A
C
ARG
A
C
C
A
Atoms
C4-C5-C6
C5-C6-N1
C5-C6-N1
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C-N-CA
N3-C2-O2
C5-C6-N1
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
O4'-C1'-N1
N1-C6-N6
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N9
C5-C6-N1
N3-C2-O2
NE-CZ-NH2
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N9
Z
-6.05
6.05
6.05
-6.05
-6.05
6.05
-6.05
-6.05
-6.05
-6.05
6.04
-6.04
-6.04
-6.04
-6.04
6.04
6.04
-6.04
6.04
6.04
-6.04
-6.04
-6.04
6.04
6.04
-6.04
6.04
6.04
-6.03
-6.03
-6.03
-6.03
6.03
-6.03
6.03
6.03
-6.03
6.03
6.03
6.03
-6.03
6.03
4V74
Observed( ) Ideal( )
o
113.97
120.72
120.72
113.97
113.97
113.04
113.98
117.67
113.98
117.67
123.32
117.67
117.67
113.98
117.67
113.03
136.81
117.67
120.72
123.32
117.67
113.98
117.67
123.32
113.03
114.98
113.03
120.72
117.68
117.68
117.68
117.68
113.03
117.68
113.03
120.72
117.68
123.32
120.72
113.02
117.68
113.02
o
117.00
117.70
117.70
117.00
117.00
108.20
117.00
121.90
117.00
121.90
120.30
121.90
121.90
117.00
121.90
108.20
121.70
121.90
117.70
120.30
121.90
117.00
121.90
120.30
108.20
118.60
108.20
117.70
121.90
121.90
121.90
121.90
108.20
121.90
108.20
117.70
121.90
120.30
117.70
108.20
121.90
108.20
Continued on next page...
Page 138
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
54
54
54
21
21
27
54
54
54
54
54
21
54
54
54
21
21
21
21
54
54
54
22
54
54
54
54
54
55
21
46
54
54
54
21
21
54
54
54
BA
AA
AA
BA
BA
BA
AA
AA
BE
BA
BA
BA
BA
BA
AA
BA
BA
BA
AA
AA
AA
AA
BA
BA
BA
A1
BA
BA
BA
BA
BA
BB
AA
BX
BA
BA
BA
AA
AA
BA
BA
BA
1822
271
763
800
1072
1552
427
1396
88
851
1270
1577
253
2313
1032
946
2498
2512
938
1044
596
1449
1885
2129
2338
9
380
1336
1606
1900
819
38
441
10
553
1694
753
488
979
66
423
477
C
C
G
A
C
A
U
A
ARG
C
C
C
C
C
G
C
C
C
A
A
A
C
A
C
C
A
G
A
C
A
A
C
A
ARG
G
C
A
C
C
C
A
A
Atoms
N3-C2-O2
N3-C2-O2
N3-C2-N2
C5-C6-N1
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C4-C5
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
N1-C6-N6
O4'-C1'-N9
C4-C5-C6
N1-C2-O2
C4-C5-C6
N1-C6-N6
N3-C2-O2
C4-C5-C6
NE-CZ-NH1
N1-C6-O6
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
N1-C2-O2
C4-C5-C6
C4-C5-C6
Z
-6.03
-6.03
-6.03
6.03
-6.03
-6.03
6.03
-6.03
6.03
-6.03
-6.03
-6.03
-6.02
-6.02
-6.02
-6.02
-6.02
6.02
-6.02
-6.02
-6.02
-6.02
-6.02
-6.02
-6.02
-6.02
6.02
-6.02
6.02
-6.02
-6.02
-6.02
-6.01
6.01
-6.01
6.01
-6.01
-6.01
6.01
6.01
-6.01
-6.01
4V74
Observed( ) Ideal( )
o
117.68
117.68
115.68
120.71
117.68
113.99
113.02
113.99
123.31
117.68
117.68
117.68
117.68
117.68
125.59
117.69
117.69
113.02
113.99
113.99
113.99
117.69
113.99
117.69
117.69
114.99
113.02
113.99
122.51
113.99
114.99
117.69
113.99
123.31
116.29
113.01
113.99
117.69
113.01
122.51
114.00
113.99
o
121.90
121.90
119.90
117.70
121.90
117.00
108.20
117.00
120.30
121.90
121.90
121.90
121.90
121.90
128.60
121.90
121.90
108.20
117.00
117.00
117.00
121.90
117.00
121.90
121.90
118.60
108.20
117.00
118.90
117.00
118.60
121.90
117.00
120.30
119.90
108.20
117.00
121.90
108.20
118.90
117.00
117.00
Continued on next page...
Page 139
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
21
21
21
22
54
54
20
54
54
54
54
54
54
54
54
24
55
21
21
22
54
54
54
54
54
54
54
54
21
21
24
54
13
21
21
54
54
54
54
BA
BA
AA
AA
AA
AA
A1
BA
BA
AU
BA
BA
BA
BA
BA
BA
BA
BA
A3
BB
AA
AA
A1
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
A3
BA
AN
AA
AA
BA
BA
BA
BA
1595
1638
766
972
996
1359
35
161
2636
30
447
531
1207
1470
2665
1477
2190
2386
75
87
65
845
61
1490
1715
2826
151
1557
2061
2380
2734
422
1037
26
981
90
295
1465
2183
2619
673
2103
C
C
A
C
A
C
A
A
C
GLU
A
C
C
A
A
A
G
A
C
U
A
A
C
A
G
A
C
C
G
C
A
C
C
C
A
ARG
C
A
A
C
C
C
Atoms
N3-C2-O2
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C5-C6-N1
N1-C2-O2
C4-C5-C6
C5-C6-N1
O4'-C1'-N1
C-N-CA
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-N2
C4-C5-C6
N3-C2-O2
C1'-O4'-C4'
C4-C5-C6
C4-C5-C6
N3-C2-O2
O4'-C1'-N9
N1-C6-O6
O4'-C1'-N9
N3-C2-O2
N3-C2-O2
N3-C2-N2
N3-C2-O2
N1-C6-N6
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
N1-C6-N6
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N1
O4'-C1'-N1
Z
-6.01
-6.01
-6.01
6.01
6.01
6.01
-6.01
6.01
6.01
6.01
6.01
6.01
-6.01
-6.01
-6.01
-6.01
-6.01
-6.01
-6.00
-6.00
-6.00
-6.00
-6.00
6.00
-6.00
6.00
-6.00
-6.00
-6.00
-6.00
-6.00
6.00
-6.00
-6.00
-6.00
6.00
-6.00
-6.00
-6.00
6.00
6.00
6.00
4V74
Observed( ) Ideal( )
o
117.69
117.69
114.00
113.01
120.70
122.51
114.00
120.70
113.01
136.72
120.70
113.01
117.69
114.00
114.00
114.00
115.70
114.00
117.70
105.10
114.00
114.00
117.70
113.00
116.30
113.00
117.70
117.70
115.70
117.70
115.00
113.00
117.70
117.70
114.00
123.30
117.70
115.00
114.00
113.00
113.00
113.00
o
121.90
121.90
117.00
108.20
117.70
118.90
117.00
117.70
108.20
121.70
117.70
108.20
121.90
117.00
117.00
117.00
119.90
117.00
121.90
109.90
117.00
117.00
121.90
108.20
119.90
108.20
121.90
121.90
119.90
121.90
118.60
108.20
121.90
121.90
117.00
120.30
121.90
118.60
117.00
108.20
108.20
108.20
Continued on next page...
Page 140
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
55
54
21
54
54
21
54
54
11
21
21
54
54
54
54
54
54
21
21
54
21
54
2
21
21
21
54
21
21
54
54
55
21
54
54
21
21
21
54
54
BA
BA
BB
BA
AA
BA
BA
AA
BA
BA
AL
AA
AA
BA
BA
BA
BA
BA
BA
AA
AA
BA
AA
BA
AC
AA
AA
AA
BA
AA
AA
BA
BA
BB
AA
BA
BA
AA
AA
AA
BA
BA
2540
2792
68
2826
1209
1553
1627
182
541
1505
13
502
918
528
1354
1528
2003
2084
721
199
767
781
872
1315
53
26
546
1499
315
440
878
1887
2187
53
1179
787
892
15
839
1243
563
1144
C
A
C
A
C
A
G
A
A
A
ARG
A
A
A
A
A
A
C
A
A
A
A
A
C
ARG
A
A
A
G
C
A
C
U
A
A
C
A
G
C
C
A
A
Atoms
N3-C2-O2
C5-C6-N1
N3-C2-O2
C5-C6-N1
N3-C2-O2
O4'-C1'-N9
C5'-C4'-O4'
C5-C6-N1
C4-C5-C6
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
C5-C6-N1
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
C4-C5-C6
N1-C6-O6
N3-C2-O2
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N1-C2-O2
C4-C5-C6
N3-C2-N2
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
Z
-6.00
6.00
-6.00
6.00
-5.99
5.99
5.99
5.99
-5.99
-5.99
5.99
-5.99
-5.99
-5.99
-5.99
-5.99
-5.99
-5.99
-5.99
-5.99
-5.99
-5.99
5.98
-5.98
5.98
-5.98
-5.98
-5.98
-5.98
-5.98
-5.98
-5.98
5.98
-5.98
-5.98
5.98
-5.98
-5.98
-5.98
-5.98
-5.98
-5.98
4V74
Observed( ) Ideal( )
o
117.70
120.70
117.70
120.70
117.70
113.00
116.29
120.70
114.00
114.00
123.30
114.00
114.01
114.01
114.01
114.00
114.01
117.71
114.01
114.01
114.01
114.01
120.69
117.71
123.29
114.01
114.01
114.01
116.31
117.71
114.01
117.71
112.98
114.01
114.01
122.49
114.01
115.72
117.72
117.72
114.01
114.01
o
121.90
117.70
121.90
117.70
121.90
108.20
109.10
117.70
117.00
117.00
120.30
117.00
117.00
117.00
117.00
117.00
117.00
121.90
117.00
117.00
117.00
117.00
117.70
121.90
120.30
117.00
117.00
117.00
119.90
121.90
117.00
121.90
108.20
117.00
117.00
118.90
117.00
119.90
121.90
121.90
117.00
117.00
Continued on next page...
Page 141
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
54
21
54
54
54
55
21
54
54
54
21
55
21
54
54
21
54
55
21
21
21
54
54
54
54
54
21
21
30
24
54
55
54
54
54
21
21
25
21
BA
BA
AA
BA
AA
BA
BA
BA
BB
AA
BA
BA
BA
AA
BB
AA
BA
BA
AA
BA
BB
AA
AA
AA
BA
BA
BA
BA
BA
AA
AA
BH
A3
BA
BB
BA
BA
BA
AA
AA
BC
AA
1378
2206
1210
2101
747
481
1341
2262
12
1263
37
1637
42
948
88
810
2142
2612
552
1655
66
1129
493
790
900
1413
2205
1717
1783
940
1086
116
22
1056
4
2758
1040
2740
749
1411
202
452
A
C
C
A
A
G
G
U
C
C
C
A
A
C
C
C
A
C
U
A
A
C
A
A
A
A
A
A
A
C
U
ARG
A
G
C
A
A
A
A
C
ARG
A
Atoms
C4-C5-C6
N3-C2-O2
N1-C2-O2
C4-C5-C6
C4-C5-C6
C1'-O4'-C4'
O4'-C1'-N9
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
N1-C6-O6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
Z
-5.98
-5.98
5.98
-5.98
-5.97
-5.97
5.97
5.97
5.97
-5.97
-5.97
-5.97
-5.97
5.97
5.97
5.97
-5.97
-5.97
5.96
-5.96
-5.96
-5.96
-5.96
-5.96
-5.96
5.96
-5.96
-5.96
-5.96
-5.96
-5.96
5.96
-5.96
-5.96
-5.96
-5.95
-5.95
-5.95
-5.95
-5.95
5.95
-5.95
4V74
Observed( ) Ideal( )
o
114.01
117.72
122.49
114.01
114.01
105.12
112.98
112.98
122.48
117.72
117.72
114.01
114.01
112.97
122.48
112.97
114.02
117.72
112.97
114.02
114.02
117.73
114.02
114.02
114.02
120.68
114.02
114.02
114.02
117.73
118.03
123.28
114.02
116.33
117.73
114.02
114.02
114.02
114.02
117.73
123.28
114.03
o
117.00
121.90
118.90
117.00
117.00
109.90
108.20
108.20
118.90
121.90
121.90
117.00
117.00
108.20
118.90
108.20
117.00
121.90
108.20
117.00
117.00
121.90
117.00
117.00
117.00
117.70
117.00
117.00
117.00
121.90
122.20
120.30
117.00
119.90
121.90
117.00
117.00
117.00
117.00
121.90
120.30
117.00
Continued on next page...
Page 142
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
21
15
21
21
21
54
54
54
54
9
22
54
8
21
21
21
54
54
54
54
21
21
54
21
21
21
21
54
54
21
21
24
54
21
21
21
24
54
4
AA
BA
BA
AA
AP
AA
AA
AA
BA
BA
BA
BA
AJ
A1
BA
AI
AA
AA
AA
BA
BA
BA
BA
AA
AA
BA
AA
AA
AA
AA
BA
BA
AA
AA
A3
BA
AA
AA
AA
A3
BA
AE
892
1145
1254
492
31
110
535
1112
28
2044
1231
1564
68
23
737
112
341
766
1223
364
382
524
1495
389
610
1809
34
923
574
926
2461
2785
739
900
59
2789
1225
1484
1340
40
987
68
A
C
A
C
ARG
C
A
C
A
C
U
C
ARG
A
C
ARG
C
A
C
C
A
G
A
A
U
A
C
A
A
G
A
C
C
A
A
C
A
C
A
C
C
ARG
Atoms
N1-C6-N6
N3-C2-O2
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
N1-C2-O2
N1-C6-N6
N3-C2-O2
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
NE-CZ-NH1
N1-C6-N6
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
C1'-O4'-C4'
N1-C2-O2
N3-C2-O2
C6-C5-N7
N1-C6-O6
C5-C6-N1
C4-C5-C6
C1'-O4'-C4'
C4-C5-C6
P-O3'-C3'
C4-C5-C6
C4-C5-C6
P-O3'-C3'
C4-C5-C6
N3-C2-O2
N1-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
Z
-5.95
-5.95
-5.95
-5.95
5.95
5.95
-5.95
-5.95
-5.95
-5.95
5.94
-5.94
5.94
-5.94
-5.94
5.94
-5.94
-5.94
5.94
-5.94
5.94
-5.94
5.94
-5.94
-5.94
-5.94
5.94
-5.94
-5.93
5.93
-5.93
-5.93
5.93
-5.93
-5.93
-5.93
-5.93
-5.93
5.93
-5.93
-5.93
5.93
4V74
Observed( ) Ideal( )
o
115.03
117.74
114.03
117.74
123.27
122.47
115.03
117.74
114.03
117.74
112.95
117.74
123.27
115.03
117.74
123.27
117.74
105.15
122.46
117.74
136.46
116.34
120.67
114.03
105.15
114.03
126.82
114.03
114.03
126.82
114.03
117.75
122.46
114.03
114.03
117.75
114.03
117.75
120.67
117.75
117.75
123.26
o
118.60
121.90
117.00
121.90
120.30
118.90
118.60
121.90
117.00
121.90
108.20
121.90
120.30
118.60
121.90
120.30
121.90
109.90
118.90
121.90
132.30
119.90
117.70
117.00
109.90
117.00
119.70
117.00
117.00
119.70
117.00
121.90
118.90
117.00
117.00
121.90
117.00
121.90
117.70
121.90
121.90
120.30
Continued on next page...
Page 143
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
54
6
33
54
21
54
54
54
54
54
54
54
54
54
54
54
21
54
54
54
54
21
54
54
54
55
21
54
21
21
54
54
54
54
21
46
54
54
54
AA
BA
BA
BA
AG
BK
BA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
AA
BA
BA
BA
BB
AA
BA
AA
AA
BA
BA
BA
BA
AA
BX
BA
BA
BA
169
786
1554
2652
4
98
890
1293
2821
1765
2502
1013
1099
1493
1730
1784
2412
2068
2258
1191
936
1113
1790
2117
161
991
1518
2042
108
865
965
526
962
2658
2679
960
2225
960
27
33
1420
1938
C
C
U
C
ARG
ARG
C
C
A
U
G
C
G
C
C
A
A
U
C
A
A
U
C
A
A
C
C
A
A
A
C
C
C
C
A
A
A
U
ARG
C
A
A
Atoms
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
N1-C2-O2
NE-CZ-NH1
NE-CZ-NH1
N1-C2-O2
N3-C2-O2
N1-C6-N6
O4'-C1'-N1
N1-C6-O6
N1-C2-O2
N1-C6-O6
N3-C2-O2
N3-C2-O2
O4'-C1'-N9
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
C5-C6-N1
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
O4'-C1'-N9
C4-C5-C6
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
NE-CZ-NH2
N3-C2-O2
C4-C5-C6
C4-C5-C6
Z
-5.93
-5.93
5.93
5.93
5.93
5.93
5.93
-5.92
-5.92
5.92
-5.92
5.92
-5.92
-5.92
-5.92
5.92
-5.92
5.92
-5.92
5.92
5.92
5.92
-5.92
-5.92
-5.92
-5.92
-5.92
-5.92
5.92
-5.92
-5.92
-5.91
-5.91
-5.91
5.91
-5.91
-5.91
5.91
-5.91
-5.91
-5.91
-5.91
4V74
Observed( ) Ideal( )
o
117.75
117.75
112.94
122.46
123.26
123.26
122.46
117.75
115.05
112.94
116.35
122.45
116.35
117.75
117.75
112.94
114.04
112.94
117.76
120.66
120.66
112.94
117.76
114.04
114.04
117.76
117.76
114.04
112.93
114.04
117.76
117.76
117.76
117.76
120.66
114.04
114.04
112.93
117.34
117.76
114.05
114.04
o
121.90
121.90
108.20
118.90
120.30
120.30
118.90
121.90
118.60
108.20
119.90
118.90
119.90
121.90
121.90
108.20
117.00
108.20
121.90
117.70
117.70
108.20
121.90
117.00
117.00
121.90
121.90
117.00
108.20
117.00
121.90
121.90
121.90
121.90
117.70
117.00
117.00
108.20
120.30
121.90
117.00
117.00
Continued on next page...
Page 144
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
21
54
54
21
54
54
21
54
54
54
55
54
54
13
54
54
54
21
21
21
54
21
15
21
21
21
54
54
21
54
54
54
54
54
21
21
54
54
54
55
AA
AA
AA
BA
BA
AA
BA
BA
AA
BA
BA
BA
BB
BA
BA
AN
BA
BA
BA
AA
AA
AA
BA
AA
AP
AA
AA
AA
BA
BA
AA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BB
66
156
316
1551
1592
465
2070
2250
469
1308
1546
2590
58
71
1437
53
172
984
1420
222
901
985
1575
1418
25
653
909
1114
219
611
253
79
703
912
1795
2579
805
1302
679
1271
1480
60
A
C
C
A
C
A
A
G
C
A
G
A
A
A
C
ARG
A
A
A
C
A
C
C
A
ARG
U
A
C
A
C
A
C
U
C
C
C
C
C
C
G
C
C
Atoms
C4-C5-C6
N3-C4-N4
C3'-C2'-C1'
C4-C5-C6
N3-C2-O2
N1-C6-N6
O4'-C1'-N9
N1-C6-O6
N3-C2-O2
N1-C6-N6
O4'-C1'-N9
C5-C6-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
N3-C2-O2
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
NE-CZ-NH1
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
N1-C2-O2
N3-C2-O2
O4'-C1'-N9
N3-C2-O2
N3-C2-O2
Z
-5.91
-5.91
5.91
-5.91
-5.91
-5.91
5.91
-5.91
-5.91
-5.91
5.91
5.91
-5.91
-5.90
-5.90
5.90
-5.90
-5.90
5.90
-5.90
5.90
-5.90
5.90
-5.90
5.90
5.90
-5.90
-5.90
-5.90
-5.90
5.89
5.89
5.89
-5.89
-5.89
-5.89
-5.89
5.89
-5.89
5.89
-5.89
-5.89
4V74
Observed( ) Ideal( )
o
114.05
113.86
106.23
114.05
117.76
115.06
112.93
116.36
117.77
115.06
112.92
120.65
114.05
114.05
117.77
123.25
114.05
114.05
112.92
117.77
120.65
117.77
112.92
114.05
123.25
112.92
114.05
117.77
114.05
117.77
120.65
122.44
112.92
117.77
117.77
117.77
117.78
122.44
117.78
112.91
117.78
117.78
o
117.00
118.00
101.50
117.00
121.90
118.60
108.20
119.90
121.90
118.60
108.20
117.70
117.00
117.00
121.90
120.30
117.00
117.00
108.20
121.90
117.70
121.90
108.20
117.00
120.30
108.20
117.00
121.90
117.00
121.90
117.70
118.90
108.20
121.90
121.90
121.90
121.90
118.90
121.90
108.20
121.90
121.90
Continued on next page...
Page 145
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
54
54
9
21
21
21
54
54
54
54
54
54
21
54
21
54
21
24
39
54
54
54
4
21
24
54
54
31
54
21
54
54
54
21
21
54
54
54
54
54
AA
AA
BA
BA
AJ
AA
AA
AA
BA
BA
BA
BA
BA
BA
AA
BA
AA
BA
AA
A3
BQ
BA
BA
BA
AE
AA
A3
BA
BA
BI
BA
AA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
315
1368
806
1933
31
19
811
949
162
980
1063
1073
2433
2654
1492
2184
51
626
1509
24
47
1164
2772
1288
137
1379
35
94
1382
64
1414
1028
1009
2380
2645
610
1271
2793
83
546
660
1475
A
A
C
G
ARG
A
C
A
U
A
G
A
A
A
A
A
A
A
C
C
ARG
C
C
G
ARG
G
C
A
G
ARG
C
C
A
C
G
U
A
C
A
U
C
G
Atoms
C3'-C2'-C1'
C4-C5-C6
N3-C2-O2
N3-C4-C5
NE-CZ-NH1
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
P-O3'-C3'
C1'-O4'-C4'
O4'-C1'-N9
C4-C5-C6
C4-C5-C6
C4-C5-C6
C5-C6-N1
C4-C5-C6
C6-C5-N7
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
C1'-O4'-C4'
NE-CZ-NH2
N1-C6-O6
N1-C2-O2
C4-C5-C6
N3-C4-C5
NE-CZ-NH1
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
C1'-O4'-C4'
N3-C2-O2
O4'-C1'-N9
Z
5.89
-5.89
-5.89
-5.89
5.89
-5.89
-5.89
-5.89
-5.89
5.89
-5.89
5.89
-5.89
-5.89
-5.89
5.89
-5.89
5.89
-5.88
-5.88
5.88
-5.88
-5.88
-5.88
-5.88
-5.88
5.88
-5.88
-5.88
5.88
5.88
-5.88
-5.88
5.88
5.88
-5.88
-5.88
-5.88
-5.88
-5.88
-5.88
5.88
4V74
Observed( ) Ideal( )
o
106.21
114.06
117.78
125.65
123.24
114.06
117.78
114.06
118.08
126.77
105.19
112.91
114.06
114.06
114.06
120.64
114.06
136.42
117.78
117.78
123.24
117.78
117.78
105.19
117.36
116.37
122.43
114.06
125.66
123.24
112.90
117.79
114.06
112.90
112.90
118.09
114.06
117.79
114.06
105.20
117.79
112.90
o
101.50
117.00
121.90
128.60
120.30
117.00
121.90
117.00
122.20
119.70
109.90
108.20
117.00
117.00
117.00
117.70
117.00
132.30
121.90
121.90
120.30
121.90
121.90
109.90
120.30
119.90
118.90
117.00
128.60
120.30
108.20
121.90
117.00
108.20
108.20
122.20
117.00
121.90
117.00
109.90
121.90
108.20
Continued on next page...
Page 146
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
54
54
54
54
21
21
21
21
21
54
21
54
21
54
54
52
21
21
21
24
21
54
21
54
21
54
54
54
21
54
24
54
54
54
54
21
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
AA
AA
AA
BA
AA
BA
AA
BA
BA
B3
AA
AA
AA
A3
AA
BA
AA
BA
AA
BA
BA
BA
AA
BA
A3
BA
BA
BA
BA
AA
BA
1704
1802
2211
2683
64
1512
1646
2184
2285
174
202
866
1145
1338
2055
914
2760
1230
443
2825
7
868
1097
1352
38
334
2841
205
1920
124
466
885
2163
1462
1508
66
1830
1167
2639
2741
1111
398
C
A
A
C
A
C
C
A
C
A
G
C
A
G
C
A
C
C
A
G
ARG
C
C
C
A
C
C
A
C
C
A
C
A
C
A
C
C
C
A
A
A
C
Atoms
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
N1-C2-O2
N1-C6-N6
N3-C2-O2
C4-C5-C6
N1-C6-O6
N1-C2-O2
N1-C6-N6
N1-C6-O6
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C5-C6-N1
N3-C4-C5
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
N1-C2-O2
C4-C5-C6
N1-C2-O2
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N9
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
Z
-5.88
-5.88
-5.88
-5.88
-5.87
-5.87
5.87
-5.87
-5.87
-5.87
-5.87
5.87
-5.87
-5.87
-5.87
-5.87
-5.87
-5.87
5.87
-5.87
5.87
-5.87
-5.87
5.87
-5.87
5.86
-5.86
-5.86
5.86
-5.86
-5.86
-5.86
-5.86
-5.86
-5.86
-5.86
-5.86
5.86
5.86
-5.86
-5.85
5.85
4V74
Observed( ) Ideal( )
o
117.79
114.06
114.06
117.79
114.06
117.79
122.42
115.08
117.79
114.06
116.38
122.42
115.08
116.38
117.79
114.06
117.79
117.79
120.63
125.67
123.23
117.79
117.80
122.42
114.07
122.42
117.80
114.07
112.89
117.80
114.07
117.80
114.07
117.80
114.07
117.80
117.80
112.89
112.88
114.07
114.07
112.88
o
121.90
117.00
117.00
121.90
117.00
121.90
118.90
118.60
121.90
117.00
119.90
118.90
118.60
119.90
121.90
117.00
121.90
121.90
117.70
128.60
120.30
121.90
121.90
118.90
117.00
118.90
121.90
117.00
108.20
121.90
117.00
121.90
117.00
121.90
117.00
121.90
121.90
108.20
108.20
117.00
117.00
108.20
Continued on next page...
Page 147
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
21
22
39
54
54
33
54
54
54
54
54
21
54
54
21
54
54
54
54
55
21
54
54
54
54
54
21
54
54
54
17
54
18
21
21
21
21
22
54
BA
BA
AA
AA
A1
BQ
BA
BA
BK
BA
BA
BA
BA
BA
AA
BA
BA
AA
BA
BA
BA
BA
BB
AA
BA
BA
BA
BA
BA
AA
BA
BA
BA
AR
BA
AS
AA
AA
AA
AA
A1
BA
717
2181
116
1081
16
69
1170
2614
70
2260
1133
1417
1774
2274
1067
1206
1654
608
474
590
1634
1829
92
931
1552
1603
1644
2096
2778
879
395
550
2194
47
251
36
783
826
1145
1333
59
184
C
U
A
A
C
ARG
C
A
ARG
C
A
C
C
A
A
G
A
A
G
A
A
A
C
C
A
A
C
C
A
C
U
C
U
ARG
A
ARG
C
C
A
A
U
C
Atoms
N3-C2-O2
O4'-C1'-N1
N1-C6-N6
C4-C5-C6
N1-C2-O2
NE-CZ-NH1
N3-C2-O2
C6-C5-N7
NE-CZ-NH1
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N1
N1-C6-N6
C6-C5-N7
N3-C2-N2
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
C5-C6-N1
O4'-C1'-N9
C4-C5-C6
N3-C2-O2
N3-C2-O2
C1'-O4'-C4'
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
NE-CZ-NH1
N1-C6-N6
NE-CZ-NH2
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
Z
-5.85
5.85
-5.85
-5.85
5.85
5.85
-5.85
5.85
5.85
-5.85
-5.85
5.85
5.85
-5.85
5.85
-5.85
-5.85
-5.85
5.85
5.85
5.85
-5.85
-5.85
-5.84
-5.84
-5.84
-5.84
5.84
-5.84
5.84
5.84
5.84
5.84
5.84
-5.84
5.84
-5.84
-5.84
-5.84
-5.84
5.84
-5.84
4V74
Observed( ) Ideal( )
o
117.80
112.88
115.09
114.07
122.41
123.23
117.80
136.40
123.22
117.80
114.08
112.88
112.88
115.09
136.39
115.81
114.08
114.08
112.88
120.62
112.88
114.08
117.81
117.81
105.22
114.08
117.81
112.88
114.08
122.41
112.87
122.41
112.87
123.22
115.10
123.22
117.81
117.81
114.08
114.08
112.87
117.81
o
121.90
108.20
118.60
117.00
118.90
120.30
121.90
132.30
120.30
121.90
117.00
108.20
108.20
118.60
132.30
119.90
117.00
117.00
108.20
117.70
108.20
117.00
121.90
121.90
109.90
117.00
121.90
108.20
117.00
118.90
108.20
118.90
108.20
120.30
118.60
120.30
121.90
121.90
117.00
117.00
108.20
121.90
Continued on next page...
Page 148
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
6
54
54
54
54
54
54
54
54
21
24
54
54
54
55
54
54
21
54
54
54
54
54
22
37
54
21
54
54
54
54
21
54
55
54
54
54
21
54
BA
BA
BA
AG
BA
BA
BA
BA
BA
BA
BA
BA
AA
A3
BA
BA
BA
BB
BA
BA
AA
BA
BA
BA
BA
BA
A1
BO
BA
AA
BA
BA
BA
BA
AA
BA
BB
BA
BA
BA
AA
BA
930
2575
2670
142
334
957
1789
1054
2333
20
2339
2441
977
60
905
1003
2662
78
53
2173
487
459
527
1328
1431
1741
36
9
2518
1311
222
231
434
2254
770
1507
52
210
1600
2788
277
368
G
C
A
ARG
C
C
A
A
A
C
C
U
A
A
A
G
A
A
A
A
A
U
C
A
A
C
C
ARG
A
A
A
A
U
C
C
C
A
C
C
C
C
A
Atoms
O4'-C1'-N9
O4'-C1'-N1
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
N1-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
C5-C6-N1
N1-C6-O6
C5-C6-N1
C6-C5-N7
O4'-C1'-N9
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
N1-C2-O2
C4-C5-C6
N1-C6-N6
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
C4-C5-C6
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N9
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5-C6-N1
Z
5.84
5.84
-5.84
5.84
-5.84
5.84
-5.84
-5.83
-5.83
-5.83
-5.83
5.83
-5.83
-5.83
5.83
-5.83
5.83
5.83
5.83
-5.83
-5.83
5.83
5.83
-5.83
-5.83
-5.83
-5.83
5.83
-5.83
-5.83
-5.82
5.82
5.82
-5.82
-5.82
5.82
5.82
-5.82
-5.82
-5.82
-5.82
5.82
4V74
Observed( ) Ideal( )
o
112.87
112.87
114.08
123.22
117.81
122.40
114.08
114.08
114.08
117.82
117.82
112.87
114.08
114.08
120.62
116.40
120.62
136.38
112.86
114.08
114.08
112.86
122.40
114.09
115.10
117.82
117.82
123.21
114.09
114.09
114.09
120.61
112.86
117.82
117.83
112.86
112.86
117.83
117.83
117.83
117.83
120.61
o
108.20
108.20
117.00
120.30
121.90
118.90
117.00
117.00
117.00
121.90
121.90
108.20
117.00
117.00
117.70
119.90
117.70
132.30
108.20
117.00
117.00
108.20
118.90
117.00
118.60
121.90
121.90
120.30
117.00
117.00
117.00
117.70
108.20
121.90
121.90
108.20
108.20
121.90
121.90
121.90
121.90
117.70
Continued on next page...
Page 149
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
21
54
54
21
54
54
54
54
21
21
21
54
54
54
54
21
21
26
54
54
54
54
54
54
55
54
54
54
21
21
21
21
21
54
27
54
54
54
55
BA
AA
AA
AA
BA
BA
AA
BA
BA
BA
BA
AA
AA
AA
BA
BA
BA
BA
AA
AA
BD
BA
BA
BA
BA
BA
BA
BB
BA
BA
BA
AA
AA
AA
AA
AA
BA
BE
BA
BA
BA
BB
2746
269
1098
1288
1562
2072
470
1540
2060
2146
2882
381
990
1430
526
1503
1525
2754
862
852
169
369
538
581
2679
2720
2750
64
542
1146
2757
906
77
978
1217
1298
267
67
866
2015
2458
118
U
C
C
A
U
C
C
G
A
C
A
C
C
A
A
A
A
U
C
G
ARG
U
A
C
A
U
A
G
C
C
A
A
A
A
C
U
C
ARG
A
A
G
C
Atoms
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
O4'-C1'-N9
C4-C5-C6
N3-C2-O2
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
N1-C6-O6
NE-CZ-NH2
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
N1-C6-O6
N3-C2-O2
N1-C2-O2
C5-C6-N1
C4-C5-C6
C4-C5-C6
C6-C5-N7
N3-C2-O2
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
O4'-C1'-N9
N3-C4-C5
N3-C2-O2
Z
5.82
-5.82
-5.82
-5.82
5.82
-5.82
-5.82
5.82
-5.82
-5.82
5.82
5.81
-5.81
-5.81
-5.81
-5.81
-5.81
5.81
-5.81
-5.81
-5.81
5.81
5.81
-5.81
-5.81
5.81
-5.81
-5.81
-5.80
5.80
5.80
-5.80
-5.80
5.80
-5.80
-5.80
-5.80
5.80
-5.80
5.80
-5.80
-5.80
4V74
Observed( ) Ideal( )
o
112.86
117.83
117.83
114.09
112.85
117.83
117.83
112.85
114.09
117.83
120.61
112.85
117.83
114.09
114.09
114.09
114.09
112.85
117.83
116.42
117.40
112.85
120.60
117.83
114.10
112.85
114.10
116.42
117.84
122.38
120.60
114.10
114.10
136.36
117.84
118.14
117.84
123.20
114.10
112.84
125.70
117.84
o
108.20
121.90
121.90
117.00
108.20
121.90
121.90
108.20
117.00
121.90
117.70
108.20
121.90
117.00
117.00
117.00
117.00
108.20
121.90
119.90
120.30
108.20
117.70
121.90
117.00
108.20
117.00
119.90
121.90
118.90
117.70
117.00
117.00
132.30
121.90
122.20
121.90
120.30
117.00
108.20
128.60
121.90
Continued on next page...
Page 150
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
28
54
21
54
54
55
21
54
54
54
54
21
21
54
54
21
21
21
54
54
21
21
21
54
54
54
21
54
54
21
21
54
54
54
54
54
21
54
21
54
BA
BA
BF
BA
AA
BA
BA
BB
AA
BA
BA
BA
BA
AA
AA
BA
BA
AA
AA
AA
BA
BA
AA
AA
AA
BA
BA
BA
AA
BA
BA
AA
AA
BA
BA
BA
BA
BA
AA
BA
AA
BA
2043
2222
70
1690
1447
829
2177
49
1117
698
1243
2312
2556
816
970
268
472
889
927
460
167
990
704
894
923
1498
1758
2651
1254
445
2297
307
1005
1469
1894
2247
2364
2482
514
1913
844
572
C
C
ARG
A
A
A
C
C
A
C
C
U
C
A
C
C
A
A
G
A
A
A
A
G
A
C
U
C
A
C
A
C
A
A
C
A
C
A
C
A
G
A
Atoms
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
N1-C6-N6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N1-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C4-C5
N3-C2-O2
C4-C5-C6
N1-C6-N6
O4'-C1'-N9
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
N1-C6-O6
N1-C6-N6
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N1
C5-C6-N1
N3-C2-O2
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
C4-C5-C6
N1-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C4-C5
C4-C5-C6
Z
-5.80
-5.80
5.80
-5.80
-5.79
-5.79
-5.79
-5.79
-5.79
-5.79
5.79
-5.79
-5.79
-5.79
5.79
-5.79
-5.79
-5.79
5.79
-5.79
-5.79
-5.79
-5.78
-5.78
-5.78
-5.78
5.78
5.78
5.78
-5.78
5.78
-5.78
-5.78
-5.78
5.78
-5.78
-5.78
-5.78
-5.78
-5.78
-5.78
-5.78
4V74
Observed( ) Ideal( )
o
117.84
117.84
123.20
114.10
114.10
115.12
117.84
117.84
114.10
117.84
122.38
118.14
117.84
114.10
124.22
117.85
114.11
115.13
112.83
114.11
114.11
114.11
114.11
116.43
115.13
117.85
112.83
112.83
120.59
117.85
112.83
117.85
114.11
114.11
122.37
114.11
117.85
114.11
117.85
114.11
125.71
114.11
o
121.90
121.90
120.30
117.00
117.00
118.60
121.90
121.90
117.00
121.90
118.90
122.20
121.90
117.00
121.90
121.90
117.00
118.60
108.20
117.00
117.00
117.00
117.00
119.90
118.60
121.90
108.20
108.20
117.70
121.90
108.20
121.90
117.00
117.00
118.90
117.00
121.90
117.00
121.90
117.00
128.60
117.00
Continued on next page...
Page 151
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
54
54
54
55
54
54
54
54
54
54
21
21
24
34
54
55
51
54
54
54
21
54
54
54
21
21
21
54
54
21
21
54
54
54
21
54
54
54
54
21
BA
AA
BA
BA
BA
BB
BA
BA
BA
BA
BA
BA
AA
AA
A3
BL
BA
BB
B2
BA
BA
BA
AA
BA
BA
BA
AA
AA
AA
BA
BA
AA
AA
BA
BA
BA
AA
BA
BA
BA
BA
AA
1570
1483
909
2094
2597
115
131
426
994
1056
915
2512
975
1188
72
32
421
93
35
966
1791
2314
339
160
592
2678
448
1170
1518
2036
2730
177
1001
164
980
2853
876
1322
2706
2806
833
787
A
A
A
A
G
A
A
C
C
G
C
C
A
A
C
GLY
C
C
ARG
G
A
A
C
A
A
C
A
A
A
C
C
G
C
C
A
C
C
A
A
C
A
A
Atoms
C4-C5-C6
C5-C6-N1
C4-C5-C6
C4-C5-C6
N1-C6-O6
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
N1-C2-O2
C5-C6-N1
N1-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
N1-C2-O2
C-N-CA
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
N1-C6-O6
C4-C5-C6
C4-C5-C6
N1-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C6-C5-N7
N3-C2-O2
N3-C2-O2
N3-C4-C5
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
O4'-C1'-N9
C4-C5-C6
Z
-5.78
5.78
-5.78
-5.78
-5.78
-5.78
-5.77
5.77
5.77
5.77
5.77
-5.77
-5.77
-5.77
5.77
5.77
-5.77
-5.77
5.77
-5.77
-5.77
-5.77
5.77
-5.77
-5.77
-5.77
-5.76
-5.76
5.76
-5.76
-5.76
-5.76
-5.76
-5.76
-5.76
-5.76
-5.76
-5.76
-5.76
-5.76
5.76
-5.76
4V74
Observed( ) Ideal( )
o
114.11
120.59
114.11
114.11
116.44
114.11
114.11
112.82
122.36
114.39
122.36
117.86
114.11
114.11
122.36
136.13
117.86
117.86
123.18
116.44
114.12
114.12
122.36
114.12
114.12
117.86
114.12
114.12
136.34
117.86
117.86
125.72
117.87
117.87
114.12
117.87
117.87
114.12
114.12
117.87
112.81
114.12
o
117.00
117.70
117.00
117.00
119.90
117.00
117.00
108.20
118.90
111.50
118.90
121.90
117.00
117.00
118.90
121.70
121.90
121.90
120.30
119.90
117.00
117.00
118.90
117.00
117.00
121.90
117.00
117.00
132.30
121.90
121.90
128.60
121.90
121.90
117.00
121.90
121.90
117.00
117.00
121.90
108.20
117.00
Continued on next page...
Page 152
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
21
54
21
21
54
54
54
54
54
2
21
54
54
54
54
21
21
21
21
21
21
54
21
21
21
54
54
54
21
21
24
54
54
54
54
21
54
BA
BA
BA
BA
BA
AA
BA
AA
AA
BA
BA
BA
BA
BA
AC
AA
BA
BA
BA
BA
AA
AA
AA
AA
AA
AA
BA
AA
AA
AA
BA
BA
BA
AA
AA
A3
BA
BA
BA
BA
AA
BA
228
330
599
616
1586
368
1637
1031
1131
272
320
1278
2411
2483
131
919
336
433
678
2091
980
41
374
810
1214
1366
1804
702
999
1171
1848
547
2837
181
363
73
191
1147
1351
2733
8
1030
C
A
A
A
A
U
A
C
G
A
A
C
A
C
ARG
A
C
C
C
C
C
G
A
C
C
C
C
A
C
A
A
A
A
A
A
A
A
A
C
A
A
C
Atoms
N3-C2-O2
O4'-C1'-N9
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5-C6-N1
N1-C2-O2
N3-C2-N2
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
NE-CZ-NH1
C4-C5-C6
N3-C2-O2
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
N1-C6-O6
O4'-C1'-N9
N3-C2-O2
C1'-O4'-C4'
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C5-C6-N1
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
N1-C6-N6
C4-C5-C6
N3-C2-O2
C4-C5-C6
O4'-C1'-N9
N3-C2-O2
Z
-5.76
5.76
-5.76
-5.76
-5.76
-5.75
5.75
5.75
-5.75
-5.75
-5.75
-5.75
-5.75
5.75
5.75
-5.75
-5.75
5.75
5.75
5.75
-5.75
-5.75
5.75
-5.75
-5.75
-5.75
-5.75
-5.75
-5.75
5.75
-5.75
-5.75
-5.75
-5.74
-5.74
-5.74
-5.74
-5.74
-5.74
-5.74
5.74
-5.74
4V74
Observed( ) Ideal( )
o
117.87
112.81
114.12
114.12
114.12
118.17
120.58
122.35
115.87
114.12
114.12
117.87
114.12
112.80
123.17
114.12
117.87
122.35
112.80
122.35
117.88
116.45
112.80
117.88
105.30
117.88
117.88
114.13
117.88
120.57
114.13
114.13
114.13
114.13
114.13
114.13
115.15
114.13
117.88
114.13
112.79
117.88
o
121.90
108.20
117.00
117.00
117.00
122.20
117.70
118.90
119.90
117.00
117.00
121.90
117.00
108.20
120.30
117.00
121.90
118.90
108.20
118.90
121.90
119.90
108.20
121.90
109.90
121.90
121.90
117.00
121.90
117.70
117.00
117.00
117.00
117.00
117.00
117.00
118.60
117.00
121.90
117.00
108.20
121.90
Continued on next page...
Page 153
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
21
21
54
54
54
21
21
54
54
23
54
54
54
54
55
21
54
52
54
17
54
54
54
13
21
26
21
21
54
54
21
21
22
22
39
54
54
54
21
BA
BA
AA
AA
AA
BA
BA
BA
AA
AA
BA
BA
A2
BA
BA
BA
BA
BB
AA
BA
B3
BA
AR
BA
BA
BA
AN
AA
BD
AA
AA
BA
BA
AA
AA
A1
A1
BQ
BA
BA
BA
AA
1176
1487
35
385
1319
554
1141
1194
1342
1410
226
2066
80
203
1362
1379
1153
97
967
203
39
921
42
415
1043
2518
9
160
15
482
622
501
1151
352
979
21
62
49
217
1844
2305
1127
U
U
G
C
A
U
U
A
C
A
A
C
C
A
C
U
C
C
C
A
ARG
C
ARG
A
C
A
ARG
A
PHE
A
A
A
A
C
C
A
C
ARG
A
C
U
G
Atoms
O4'-C1'-N1
O4'-C1'-N1
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
N1-C6-N6
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
N1-C2-O2
N1-C2-O2
C4-C5-C6
NH1-CZ-NH2
N3-C2-O2
NE-CZ-NH1
C4-C5-C6
N3-C2-O2
O4'-C1'-N9
NE-CZ-NH1
C4-C5-C6
CB-CG-CD1
N1-C6-N6
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
NH1-CZ-NH2
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
N1-C6-O6
Z
5.74
5.74
5.74
-5.74
-5.74
5.74
5.74
-5.74
-5.74
-5.74
-5.74
-5.74
-5.74
-5.74
5.74
5.74
-5.73
5.73
5.73
-5.73
-5.73
-5.73
5.73
-5.73
-5.73
5.73
5.73
-5.73
-5.73
-5.72
-5.72
-5.72
-5.72
-5.72
-5.72
-5.72
-5.72
-5.72
-5.72
-5.72
5.72
-5.72
4V74
Observed( ) Ideal( )
o
112.79
112.79
112.79
117.88
114.13
112.79
112.79
114.13
117.88
114.13
114.13
117.88
117.89
115.16
122.34
112.79
117.89
122.34
122.34
114.13
113.10
117.89
123.16
114.14
117.89
112.78
123.16
114.14
116.79
115.17
114.14
114.14
114.14
117.89
117.89
114.14
117.89
113.11
114.14
117.89
112.78
116.47
o
108.20
108.20
108.20
121.90
117.00
108.20
108.20
117.00
121.90
117.00
117.00
121.90
121.90
118.60
118.90
108.20
121.90
118.90
118.90
117.00
119.40
121.90
120.30
117.00
121.90
108.20
120.30
117.00
120.80
118.60
117.00
117.00
117.00
121.90
121.90
117.00
121.90
119.40
117.00
121.90
108.20
119.90
Continued on next page...
Page 154
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
54
15
54
21
54
54
21
54
54
54
21
55
21
54
21
54
54
54
21
21
54
54
54
23
54
54
21
29
54
54
21
21
21
21
54
54
54
54
54
21
BA
AA
BA
AP
BA
AA
BA
BA
AA
BA
BA
BA
AA
BB
AA
BA
AA
BA
BA
BA
AA
AA
BA
BA
BA
A2
BA
BA
AA
BG
BA
BA
AA
AA
AA
AA
BA
BA
BA
BA
BA
AA
2889
536
1686
8
1274
1284
910
2762
1456
1155
1241
2771
944
19
633
1884
582
14
1574
2039
309
1102
2208
2900
347
79
802
1838
214
54
1847
2715
642
1324
311
989
1928
2737
2860
1438
2792
285
C
C
C
ARG
A
C
A
C
A
A
A
C
G
C
G
G
C
A
C
U
A
A
C
A
A
A
A
C
C
ARG
A
C
A
A
C
U
A
G
A
U
A
C
Atoms
N3-C2-O2
N1-C2-O2
O4'-C1'-N1
NE-CZ-NH1
C5-C6-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
N1-C6-O6
N3-C2-O2
N1-C6-O6
C3'-C2'-C1'
N3-C2-O2
C4-C5-C6
N3-C4-C5
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
N1-C2-O2
NE-CZ-NH1
C4-C5-C6
N1-C2-O2
C5-C6-N1
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
N1-C6-O6
C4-C5-C6
P-O3'-C3'
C4-C5-C6
N1-C2-O2
Z
-5.72
5.72
5.72
5.71
5.71
-5.71
-5.71
-5.71
-5.71
-5.71
-5.71
-5.71
-5.71
-5.71
-5.71
5.71
-5.71
-5.71
5.71
5.71
-5.71
-5.71
-5.71
-5.71
-5.70
-5.70
-5.70
5.70
5.70
5.70
-5.70
5.70
5.70
-5.70
-5.70
5.70
-5.70
-5.70
-5.70
5.69
-5.69
5.69
4V74
Observed( ) Ideal( )
o
117.90
122.33
112.78
123.16
120.56
117.90
114.14
117.90
114.14
114.14
114.14
117.90
116.47
117.90
116.47
106.07
117.91
114.15
124.18
112.77
114.15
114.15
117.91
114.15
114.15
114.15
114.15
112.76
122.32
123.15
114.15
122.32
120.55
114.15
117.91
112.76
114.15
116.48
114.15
126.53
114.15
122.31
o
121.90
118.90
108.20
120.30
117.70
121.90
117.00
121.90
117.00
117.00
117.00
121.90
119.90
121.90
119.90
101.50
121.90
117.00
121.90
108.20
117.00
117.00
121.90
117.00
117.00
117.00
117.00
108.20
118.90
120.30
117.00
118.90
117.70
117.00
121.90
108.20
117.00
119.90
117.00
119.70
117.00
118.90
Continued on next page...
Page 155
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
54
21
54
54
21
27
54
54
54
54
54
54
21
21
21
25
41
54
21
54
54
48
54
21
21
21
54
54
54
21
22
54
54
54
54
21
32
6
21
54
AA
AA
BA
AA
BA
BA
AA
BE
BA
BA
BA
BA
BA
BA
AA
AA
AA
BC
BS
BA
AA
BA
BA
BZ
BA
AA
AA
AA
BA
BA
BA
AA
A1
BA
BA
BA
BA
AA
BJ
AG
AA
BA
336
782
2295
1261
687
1434
556
61
1591
2600
740
794
1565
2617
1182
1369
1409
216
99
277
512
2850
1596
10
838
625
1460
1500
337
347
2598
471
70
223
1773
1987
2317
28
99
95
897
140
A
A
C
A
C
A
C
ARG
A
A
C
A
C
U
G
C
C
ARG
ARG
G
U
A
A
ARG
C
U
C
A
C
A
A
U
C
A
A
A
A
A
ARG
ARG
C
C
Atoms
C5-C6-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
O4'-C1'-N9
C4-C5-C6
N1-C2-O2
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N1
N3-C2-N2
N1-C2-O2
N3-C2-O2
NE-CZ-NH2
NE-CZ-NH1
N3-C4-C5
O4'-C1'-N1
C4-C5-C6
C5-C6-N1
NE-CZ-NH1
C5'-C4'-O4'
O4'-C1'-N1
N3-C2-O2
C6-C5-N7
O4'-C1'-N1
C5-C6-N1
C4-C5-C6
C1'-O4'-C4'
C5'-C4'-C3'
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
C5-C6-N1
C4-C5-C6
NE-CZ-NH1
NE-CZ-NH1
N3-C2-O2
N3-C4-N4
Z
5.69
-5.69
-5.69
-5.69
-5.69
-5.69
-5.69
5.69
5.69
-5.69
5.69
-5.69
5.68
5.68
-5.68
5.68
-5.68
5.68
5.68
-5.68
5.68
-5.68
5.68
5.68
5.68
5.67
-5.67
5.67
5.67
5.67
-5.67
-5.67
-5.67
-5.67
-5.67
5.67
5.67
-5.67
5.67
5.67
-5.67
-5.67
4V74
Observed( ) Ideal( )
o
120.55
114.15
117.92
114.15
117.92
114.16
117.92
123.14
112.75
114.16
122.31
114.16
112.75
112.75
115.92
122.31
117.92
123.14
123.14
125.76
112.74
114.16
120.54
123.14
115.91
112.74
117.93
136.27
112.74
120.54
114.16
105.36
106.92
114.16
114.16
112.74
120.54
114.17
123.14
123.13
117.93
114.03
o
117.70
117.00
121.90
117.00
121.90
117.00
121.90
120.30
108.20
117.00
118.90
117.00
108.20
108.20
119.90
118.90
121.90
120.30
120.30
128.60
108.20
117.00
117.70
120.30
109.10
108.20
121.90
132.30
108.20
117.70
117.00
109.90
116.00
117.00
117.00
108.20
117.70
117.00
120.30
120.30
121.90
118.00
Continued on next page...
Page 156
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
54
54
54
21
54
39
54
54
54
54
54
54
54
54
21
21
22
24
30
54
54
54
21
21
21
46
54
54
54
54
21
21
22
34
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BQ
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
A1
A3
BH
BA
BA
BA
AA
AA
AA
BX
BA
BA
BA
BA
AA
AA
A1
BL
BA
BA
BA
285
558
731
1075
1934
2515
353
2448
392
1001
54
161
440
752
884
2277
2630
341
646
1397
1441
51
52
50
417
1292
1570
89
703
716
2
1027
1086
348
2465
35
1119
51
48
147
149
475
G
U
C
C
C
C
C
A
C
A
ARG
A
C
A
U
G
G
C
U
C
A
C
C
ARG
C
G
A
U
G
A
ARG
A
A
A
C
G
C
C
ARG
C
A
C
Atoms
O4'-C1'-N9
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
O4'-C1'-N1
N1-C6-O6
O4'-C1'-N9
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
N1-C6-N6
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
O4'-C1'-N9
C5-C6-N1
N3-C2-O2
C3'-C2'-C1'
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
C4-C5-C6
N3-C2-O2
C5'-C4'-C3'
N3-C2-O2
O4'-C1'-N1
NH1-CZ-NH2
O4'-C1'-N1
C4-C5-C6
O4'-C1'-N1
Z
5.67
5.67
-5.67
5.67
-5.67
-5.67
-5.67
-5.67
-5.67
-5.67
5.66
-5.66
5.66
-5.66
5.66
-5.66
5.66
-5.66
5.66
-5.66
-5.66
-5.66
-5.66
5.66
-5.66
5.66
5.66
-5.66
5.66
-5.66
5.66
-5.66
-5.66
-5.66
-5.66
-5.66
-5.66
5.66
-5.66
5.66
-5.66
5.66
4V74
Observed( ) Ideal( )
o
112.73
112.73
117.93
112.73
117.93
117.93
117.93
114.17
117.94
114.17
123.13
114.17
112.73
114.17
112.73
116.50
112.73
117.94
112.73
117.94
115.20
117.94
117.94
123.13
117.94
112.73
120.53
118.24
106.03
114.17
123.13
114.17
114.17
114.17
117.94
106.95
117.94
112.72
113.18
112.72
114.17
112.72
o
108.20
108.20
121.90
108.20
121.90
121.90
121.90
117.00
121.90
117.00
120.30
117.00
108.20
117.00
108.20
119.90
108.20
121.90
108.20
121.90
118.60
121.90
121.90
120.30
121.90
108.20
117.70
122.20
101.50
117.00
120.30
117.00
117.00
117.00
121.90
116.00
121.90
108.20
119.40
108.20
117.00
108.20
Continued on next page...
Page 157
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
54
21
54
54
21
22
54
54
54
55
54
21
54
54
21
21
54
21
54
54
54
54
21
8
8
21
54
54
6
7
21
54
54
22
54
54
54
BA
BA
BA
BA
BA
BA
AA
BA
BA
AA
A1
BA
BA
BA
BB
BA
AA
BA
BA
AA
AA
BA
AA
BA
BA
BA
BA
AA
AI
AI
AA
BA
BA
AG
AH
AA
BA
BA
A1
BA
BA
BA
479
1032
1196
1359
1731
1824
250
863
1585
403
38
22
1204
1899
37
838
233
2261
835
467
1305
601
722
722
961
2287
1325
225
44
17
777
76
2727
101
83
1533
1792
2024
2
529
951
1064
A
A
C
A
G
G
A
A
C
C
A
C
A
A
C
C
C
C
C
U
G
C
G
A
C
A
U
C
ARG
ARG
A
C
A
ARG
ARG
C
G
G
G
A
C
C
Atoms
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
N3-C4-C5
N1-C6-O6
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
C6-C5-N7
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N3-C2-O2
N1-C2-O2
N3-C2-O2
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
N1-C6-O6
O4'-C1'-N1
C5-C6-N1
C4-C5-C6
N3-C2-O2
C4-C5-C6
C1'-O4'-C4'
N3-C2-O2
NE-CZ-NH1
NE-CZ-NH1
C4-C5-C6
N1-C2-O2
C4-C5-C6
NE-CZ-NH2
NE-CZ-NH1
N3-C2-O2
N1-C6-O6
N3-C2-N2
O4'-C1'-N9
C4-C5-C6
N3-C2-O2
N1-C2-O2
Z
-5.66
-5.66
-5.66
-5.66
-5.66
-5.66
-5.65
-5.65
5.65
-5.65
5.65
5.65
-5.65
-5.65
-5.65
5.65
-5.65
5.65
5.65
-5.64
-5.64
5.64
5.64
-5.64
-5.64
-5.64
-5.64
-5.64
5.64
5.64
-5.64
5.64
-5.64
-5.63
5.63
-5.63
-5.63
-5.63
5.63
-5.63
-5.63
5.63
4V74
Observed( ) Ideal( )
o
114.17
114.17
117.94
114.17
125.77
116.51
114.17
114.17
112.72
117.94
136.25
112.72
114.17
114.17
117.94
122.29
117.95
112.72
122.29
118.25
116.51
112.72
114.32
114.18
117.95
114.18
105.39
117.95
123.12
123.12
114.18
122.28
114.18
117.48
123.12
117.96
116.52
115.96
112.71
114.18
117.96
122.28
o
117.00
117.00
121.90
117.00
128.60
119.90
117.00
117.00
108.20
121.90
132.30
108.20
117.00
117.00
121.90
118.90
121.90
108.20
118.90
122.20
119.90
108.20
111.50
117.00
121.90
117.00
109.90
121.90
120.30
120.30
117.00
118.90
117.00
120.30
120.30
121.90
119.90
119.90
108.20
117.00
121.90
118.90
Continued on next page...
Page 158
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
56
21
54
54
21
21
21
22
34
54
54
54
21
21
21
54
21
54
21
25
54
54
4
6
21
54
54
21
54
54
21
54
21
21
54
54
55
21
54
21
BA
BA
B5
AA
BA
BA
AA
AA
AA
A1
BL
BA
BA
BA
AA
AA
AA
BA
AA
BA
AA
BC
BA
BA
AE
AG
AA
BA
BA
AA
BA
BA
AA
BA
AA
AA
BA
BA
BB
AA
BA
AA
2443
2530
162
998
84
2704
563
1236
1340
56
48
1640
2378
2749
270
270
303
239
715
2765
1275
174
1544
2248
67
3
856
1718
2571
322
318
1129
948
2268
257
483
1888
2306
91
1107
1538
33
C
A
ARG
C
A
C
A
A
A
C
ARG
A
A
A
A
A
A
C
A
A
A
ARG
A
C
ARG
ARG
C
G
U
C
C
A
C
A
G
C
G
C
C
C
G
A
Atoms
C4'-C3'-C2'
C4-C5-C6
NE-CZ-NH1
N1-C2-O2
N1-C6-N6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N1-C2-O2
NE-CZ-NH2
O4'-C1'-N9
N1-C6-N6
C4-C5-C6
C5'-C4'-C3'
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
N3-C2-O2
NE-CZ-NH1
NE-CZ-NH1
N3-C2-O2
N1-C6-O6
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
O4'-C1'-N9
N1-C2-O2
C4-C5-C6
N1-C6-O6
O4'-C1'-N1
N3-C4-C5
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
N3-C2-N2
C4-C5-C6
Z
-5.63
-5.63
5.63
5.63
-5.63
-5.63
-5.63
-5.63
-5.63
5.63
5.63
5.63
-5.63
-5.63
-5.62
-5.62
-5.62
-5.62
-5.62
-5.62
-5.62
5.62
-5.62
-5.62
5.62
5.62
-5.62
-5.62
5.62
5.61
-5.61
5.61
5.61
-5.61
-5.61
5.61
-5.61
-5.61
5.61
-5.61
-5.61
-5.61
4V74
Observed( ) Ideal( )
o
96.97
114.18
123.12
122.28
115.22
117.96
114.19
114.19
114.19
122.28
123.11
112.70
115.22
114.19
107.00
114.19
114.19
117.96
114.19
114.19
114.19
123.11
114.19
117.97
123.11
123.11
117.97
116.53
112.69
122.27
117.97
112.69
122.27
114.19
116.53
112.69
125.80
117.97
112.69
117.97
115.97
114.20
o
102.60
117.00
120.30
118.90
118.60
121.90
117.00
117.00
117.00
118.90
120.30
108.20
118.60
117.00
116.00
117.00
117.00
121.90
117.00
117.00
117.00
120.30
117.00
121.90
120.30
120.30
121.90
119.90
108.20
118.90
121.90
108.20
118.90
117.00
119.90
108.20
128.60
121.90
108.20
121.90
119.90
117.00
Continued on next page...
Page 159
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
21
54
54
54
54
54
54
21
54
54
54
54
54
21
54
54
21
22
54
54
54
3
52
54
54
54
54
54
54
21
21
21
21
54
54
21
54
54
21
21
AA
AA
AA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
AA
BA
BA
AA
A1
BA
BA
BA
AD
B3
BA
BA
BA
BA
BA
BA
AA
AA
AA
AA
BA
BA
AA
BA
BA
AA
AA
193
366
483
848
947
1645
1672
1827
2270
423
1061
1295
1647
1747
2071
629
1774
2275
643
13
107
1961
2302
25
7
237
812
1052
1598
2851
1729
984
641
1032
1212
1236
581
1478
148
1863
419
1227
C
A
C
C
A
G
A
U
A
G
U
C
U
U
A
A
C
C
C
C
G
C
U
ARG
ARG
C
C
C
A
A
U
C
U
G
U
G
C
U
U
G
C
A
Atoms
N1-C2-O2
C4-C5-C6
N3-C2-O2
N3-C2-O2
C6-C5-N7
C5-C6-N1
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
N3-C4-C5
N3-C2-O2
N1-C2-O2
O4'-C1'-N1
O4'-C1'-N1
C4-C5-C6
C6-C5-N7
N3-C2-O2
N3-C2-O2
N3-C2-O2
N3-C2-O2
C5'-C4'-O4'
N1-C2-O2
O4'-C1'-N1
NE-CZ-NH1
NE-CZ-NH2
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
C4-C5-C6
C6-C5-N7
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C8-N9-C4
C1'-O4'-C4'
O4'-C1'-N9
O4'-C1'-N1
O4'-C1'-N1
C3'-C2'-C1'
N1-C6-O6
N1-C2-O2
C4-C5-C6
Z
5.61
-5.61
-5.61
-5.61
5.61
5.61
-5.61
5.61
-5.61
-5.61
-5.61
5.61
5.61
5.61
-5.61
5.60
-5.60
-5.60
-5.60
-5.60
5.60
5.60
5.60
5.60
-5.60
5.60
5.60
-5.60
-5.60
5.60
5.60
-5.60
-5.59
-5.59
-5.59
5.59
5.59
5.59
5.59
-5.59
5.59
-5.59
4V74
Observed( ) Ideal( )
o
122.26
114.20
117.97
117.97
136.22
114.30
114.20
112.69
114.20
125.80
118.28
122.26
112.68
112.68
114.20
136.22
117.98
117.98
117.98
117.98
115.82
122.26
112.68
123.10
117.50
112.68
122.26
117.98
114.20
136.22
112.68
117.98
118.28
104.16
105.42
112.68
112.67
112.67
105.97
116.55
122.25
114.20
o
118.90
117.00
121.90
121.90
132.30
111.50
117.00
108.20
117.00
128.60
122.20
118.90
108.20
108.20
117.00
132.30
121.90
121.90
121.90
121.90
109.10
118.90
108.20
120.30
120.30
108.20
118.90
121.90
117.00
132.30
108.20
121.90
122.20
106.40
109.90
108.20
108.20
108.20
101.50
119.90
118.90
117.00
Continued on next page...
Page 160
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
36
54
54
54
21
21
21
21
54
54
54
21
54
54
54
54
54
21
54
54
54
21
54
54
54
54
54
54
54
54
54
55
55
22
3
21
21
54
54
54
54
54
BN
BA
BA
BA
AA
AA
AA
AA
BA
BA
BA
AA
BA
BA
BA
BA
BA
AA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BB
BB
A1
AD
AA
AA
BA
BA
BA
BA
BA
69
91
1088
2854
736
1213
1265
1448
305
2422
2453
329
1301
1360
1679
2279
1648
508
193
731
2687
428
237
998
1553
2215
2440
130
413
1342
2419
35
47
76
69
106
689
1102
2169
331
1116
1608
ARG
A
A
G
C
A
C
C
C
C
A
A
A
G
A
G
U
U
U
C
U
G
C
C
A
C
C
C
C
A
U
C
C
A
ARG
C
C
C
A
C
G
A
Atoms
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
N3-C2-O2
C6-N1-C2
N3-C2-O2
N1-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
N1-C6-O6
C4-C5-C6
N1-C6-O6
C5-C6-N1
N3-C2-O2
N3-C2-O2
C3'-C2'-C1'
O4'-C1'-N1
O4'-C1'-N9
N3-C2-O2
N1-C2-O2
C6-C5-N7
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
C4-C5-C6
NH1-CZ-NH2
C5'-C4'-O4'
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N1-C6-O6
C4-C5-C6
Z
5.59
-5.59
-5.59
5.59
-5.59
-5.59
-5.59
-5.59
-5.59
5.59
-5.59
-5.59
-5.59
-5.59
-5.59
-5.59
-5.58
-5.58
-5.58
5.58
5.58
5.58
-5.58
5.58
5.58
5.58
5.58
-5.58
-5.58
-5.58
5.58
5.58
-5.58
-5.58
-5.58
5.58
-5.58
-5.58
-5.58
-5.57
-5.57
-5.57
4V74
Observed( ) Ideal( )
o
123.09
114.20
114.20
112.67
117.99
114.21
117.99
118.06
117.99
122.25
114.21
114.21
114.21
116.55
114.21
116.55
119.91
118.29
118.29
105.97
112.67
112.67
117.99
122.25
136.21
122.25
112.66
118.00
118.00
114.21
112.66
122.25
118.00
114.21
113.27
115.79
118.00
118.00
114.21
118.00
116.56
114.21
o
120.30
117.00
117.00
108.20
121.90
117.00
121.90
120.30
121.90
118.90
117.00
117.00
117.00
119.90
117.00
119.90
122.70
122.20
122.20
101.50
108.20
108.20
121.90
118.90
132.30
118.90
108.20
121.90
121.90
117.00
108.20
118.90
121.90
117.00
119.40
109.10
121.90
121.90
117.00
121.90
119.90
117.00
Continued on next page...
Page 161
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
54
21
54
21
21
21
54
21
21
54
54
54
54
54
54
43
21
54
54
54
54
54
54
55
54
54
21
21
54
54
55
21
51
54
54
54
54
56
21
BA
BA
AA
BA
AA
BA
AA
AA
AA
BA
AA
AA
BA
BA
BA
BA
BA
BA
BU
AA
BA
BA
BA
BA
BA
BA
BB
BA
BA
AA
AA
BA
BA
BB
AA
B2
BA
BA
BA
BA
B5
AA
1741
2322
703
1574
549
2382
163
432
1108
2408
271
1124
1297
1853
2656
2823
1223
2838
81
300
330
1348
1720
271
1005
2820
43
1701
1870
964
1467
401
1087
86
731
21
560
876
1200
1590
74
1480
C
A
G
C
C
G
C
A
G
U
C
G
C
A
U
A
G
G
ARG
A
A
C
U
G
C
A
C
A
C
A
C
A
G
G
G
ARG
C
C
C
A
ARG
A
Atoms
N1-C2-O2
C4-C5-C6
O4'-C1'-N9
N1-C2-O2
N3-C4-N4
O4'-C1'-N9
N3-C2-O2
C6-C5-N7
N1-C6-O6
O4'-C1'-N1
O4'-C1'-N1
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C3'-C2'-C1'
N1-C6-O6
O4'-C1'-N9
NE-CZ-NH2
C4-C5-C6
N1-C6-N6
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N9
O4'-C1'-N1
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
N1-C2-O2
N1-C6-N6
N1-C2-O2
C4-C5-C6
C3'-C2'-C1'
N1-C6-O6
N3-C2-N2
NE-CZ-NH1
O4'-C1'-N1
O4'-C1'-N1
N1-C2-O2
C4-C5-C6
NE-CZ-NH1
C6-C5-N7
Z
5.57
-5.57
5.57
5.57
-5.57
5.57
-5.57
5.57
-5.57
5.57
5.57
5.57
-5.57
-5.57
5.57
5.57
-5.57
5.57
-5.56
-5.56
-5.56
-5.56
5.56
5.56
5.56
-5.56
5.56
-5.56
5.56
-5.56
5.56
-5.56
5.56
-5.56
-5.55
5.55
5.55
5.55
5.55
-5.55
5.55
5.55
4V74
Observed( ) Ideal( )
o
122.24
114.21
112.66
122.24
114.10
112.66
118.00
136.20
116.56
112.66
112.65
112.65
118.00
114.22
112.65
105.95
116.56
112.65
117.52
114.22
115.26
118.01
112.65
112.65
112.65
114.22
112.65
114.22
122.23
115.27
122.23
114.22
105.94
116.57
116.01
123.08
112.64
112.64
122.23
114.22
123.08
136.19
o
118.90
117.00
108.20
118.90
118.00
108.20
121.90
132.30
119.90
108.20
108.20
108.20
121.90
117.00
108.20
101.50
119.90
108.20
120.30
117.00
118.60
121.90
108.20
108.20
108.20
117.00
108.20
117.00
118.90
118.60
118.90
117.00
101.50
119.90
119.90
120.30
108.20
108.20
118.90
117.00
120.30
132.30
Continued on next page...
Page 162
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
3
35
48
54
54
54
54
54
54
54
54
21
33
54
21
21
54
2
21
21
21
54
54
21
21
54
54
54
54
54
50
54
21
24
54
21
21
54
54
54
21
BA
AD
BM
BZ
BA
BA
BA
BA
BA
BA
BA
BA
AA
BK
BA
AA
AA
BA
AC
AA
AA
AA
BA
BA
AA
AA
BA
BA
BA
BA
BA
B1
BA
AA
A3
BA
AA
AA
BA
BA
BA
AA
2232
153
55
44
7
294
509
1306
1967
2879
2311
2475
1349
105
2014
759
1137
1534
71
504
357
653
1955
2200
7
1296
2346
2872
1757
2122
776
27
2214
1165
41
244
119
212
632
722
2795
227
C
ARG
ARG
ARG
G
A
C
C
C
A
A
C
A
ARG
A
A
C
U
ARG
C
G
U
U
C
A
C
A
A
A
U
G
ARG
C
U
C
A
A
G
A
A
C
G
Atoms
N1-C2-O2
NE-CZ-NH1
NE-CZ-NH2
NE-CZ-NH1
N1-C6-O6
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
N1-C2-O2
N1-C6-N6
C4-C5-C6
N3-C2-O2
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
N1-C2-O2
N3-C2-O2
NE-CZ-NH1
N3-C2-O2
C3'-C2'-C1'
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
N1-C2-O2
C4-C5-C6
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
N9-C4-C5
NE-CZ-NH1
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
C4-C5-C6
O4'-C1'-N9
O4'-C1'-N1
N1-C6-O6
Z
5.55
5.55
5.55
5.55
-5.55
-5.55
-5.55
5.55
5.55
-5.55
-5.55
-5.55
-5.55
5.55
-5.55
-5.55
5.55
-5.55
5.54
-5.54
5.54
-5.54
5.54
-5.54
-5.54
5.54
-5.54
-5.54
-5.54
5.54
5.54
5.54
-5.54
5.54
-5.54
-5.54
-5.53
5.53
-5.53
5.53
5.53
-5.53
4V74
Observed( ) Ideal( )
o
122.23
123.08
123.08
123.08
116.57
114.22
118.01
112.64
122.23
115.27
114.22
118.02
114.23
123.07
114.23
114.23
122.23
118.32
123.07
118.02
105.94
118.32
112.64
118.02
114.23
122.22
114.23
114.23
114.23
112.63
107.61
123.07
118.02
112.63
118.03
114.23
114.23
112.63
114.23
112.63
112.63
116.58
o
118.90
120.30
120.30
120.30
119.90
117.00
121.90
108.20
118.90
118.60
117.00
121.90
117.00
120.30
117.00
117.00
118.90
122.20
120.30
121.90
101.50
122.20
108.20
121.90
117.00
118.90
117.00
117.00
117.00
108.20
105.40
120.30
121.90
108.20
121.90
117.00
117.00
108.20
117.00
108.20
108.20
119.90
Continued on next page...
Page 163
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
21
47
54
54
54
54
54
54
54
54
21
54
54
54
54
54
54
17
21
21
22
54
54
54
14
21
54
54
54
54
54
10
21
21
21
21
54
BA
BA
BA
BA
BA
AA
BY
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AR
AA
AA
A1
BA
BA
BA
AO
AA
BA
BA
BA
BA
BA
AK
AA
AA
AA
AA
BA
1540
2581
2153
2520
2717
660
7
332
566
671
890
1239
1872
1881
2699
200
1630
2713
2784
876
1073
1123
56
1534
945
41
166
824
1744
88
133
606
785
1591
2145
2562
52
34
1000
1021
1376
1299
G
G
C
C
C
C
ARG
A
U
C
C
G
A
C
C
G
A
U
U
C
A
C
ARG
A
G
A
U
U
A
ARG
U
U
G
A
C
U
ARG
C
A
A
U
G
Atoms
C5'-C4'-O4'
N1-C6-O6
N3-C2-O2
N3-C2-O2
N1-C2-O2
N3-C2-O2
NE-CZ-NH1
C5-C6-N1
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
N1-C6-O6
C4-C5-C6
N1-C2-O2
N1-C2-O2
O4'-C1'-N9
C6-C5-N7
O4'-C1'-N1
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
NE-CZ-NH2
C5'-C4'-C3'
C5-C6-N1
C4-C5-C6
O4'-C1'-N1
C4'-C3'-C2'
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
O4'-C1'-N1
N1-C6-O6
C6-C5-N7
N1-C2-O2
O4'-C1'-N1
NE-CZ-NH1
O4'-C1'-N1
N1-C6-N6
C4-C5-C6
N3-C2-O2
C3'-C2'-C1'
Z
5.53
-5.53
-5.53
-5.53
5.53
-5.53
5.53
5.53
5.53
5.53
5.53
-5.53
-5.53
5.53
5.53
5.53
5.53
5.52
5.52
-5.52
-5.52
5.52
-5.52
-5.52
5.52
-5.52
5.52
-5.52
-5.52
5.52
-5.52
5.52
-5.52
5.52
5.52
5.52
5.52
5.52
-5.52
-5.52
-5.52
5.52
4V74
Observed( ) Ideal( )
o
115.74
116.58
118.03
118.03
122.22
118.03
123.06
120.46
112.62
122.22
112.62
116.58
114.24
122.22
122.22
112.62
136.17
112.62
112.62
118.03
114.24
112.62
117.54
107.17
114.26
114.24
112.61
97.08
114.24
123.06
118.34
112.61
116.59
136.16
122.21
112.61
123.06
112.61
115.29
114.24
118.34
105.91
o
109.10
119.90
121.90
121.90
118.90
121.90
120.30
117.70
108.20
118.90
108.20
119.90
117.00
118.90
118.90
108.20
132.30
108.20
108.20
121.90
117.00
108.20
120.30
116.00
111.50
117.00
108.20
102.60
117.00
120.30
122.20
108.20
119.90
132.30
118.90
108.20
120.30
108.20
118.60
117.00
122.20
101.50
Continued on next page...
Page 164
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
21
21
54
4
21
21
21
21
54
54
54
21
54
54
54
21
21
54
54
54
54
21
54
54
54
54
54
54
21
21
21
21
54
54
54
54
54
BA
BA
BA
BA
BA
AA
AA
BA
AE
AA
AA
AA
AA
BA
BA
BA
AA
BA
BA
BA
AA
AA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AA
AA
AA
AA
BA
BA
BA
BA
BA
128
404
1371
1722
2398
305
595
2899
25
108
417
760
1534
455
1046
1070
848
279
2278
1755
546
1400
537
1808
1862
2723
85
419
621
1533
1554
1737
1762
108
151
714
1269
84
120
1876
1961
243
C
A
G
A
U
G
A
A
LYS
G
G
G
A
C
A
A
C
A
A
A
A
C
G
A
G
C
U
U
A
C
U
G
A
G
A
G
A
A
U
A
C
U
Atoms
N3-C2-O2
O4'-C1'-N9
N3-C2-N2
C4-C5-C6
O4'-C1'-N1
C3'-C2'-C1'
C4-C5-C6
C6-C5-N7
C-N-CA
O4'-C1'-N9
N1-C6-O6
N1-C6-O6
C4-C5-C6
N3-C2-O2
C4-C5-C6
C1'-O4'-C4'
N3-C2-O2
C3'-C2'-C1'
C4-C5-C6
C6-C5-N7
N1-C6-N6
N1-C2-O2
N1-C6-O6
C4-C5-C6
N3-C2-N2
N1-C2-O2
C3'-C2'-C1'
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
C3'-C2'-C1'
N3-C2-N2
O4'-C1'-N9
N3-C2-N2
C6-C5-N7
N3-C4-C5
C4-C5-C6
C4-C5-C6
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N1
Z
-5.51
5.51
-5.51
-5.51
5.51
5.51
-5.51
5.51
5.51
5.51
-5.51
-5.51
-5.51
-5.51
-5.51
-5.51
-5.51
5.51
-5.51
5.51
-5.51
5.51
-5.51
-5.51
-5.51
5.51
5.50
5.50
-5.50
-5.50
5.50
-5.50
5.50
-5.50
5.50
-5.50
-5.50
-5.50
-5.50
-5.50
5.50
5.50
4V74
Observed( ) Ideal( )
o
118.04
112.61
116.04
114.24
112.61
105.91
114.24
136.16
133.87
112.61
116.59
116.59
114.24
118.04
114.24
105.49
118.04
105.91
114.25
136.16
115.30
122.20
116.60
114.25
116.05
122.20
105.90
112.60
114.25
118.05
105.90
116.05
112.60
116.05
136.15
125.85
114.25
114.25
118.35
114.25
112.60
112.60
o
121.90
108.20
119.90
117.00
108.20
101.50
117.00
132.30
122.30
108.20
119.90
119.90
117.00
121.90
117.00
109.90
121.90
101.50
117.00
132.30
118.60
118.90
119.90
117.00
119.90
118.90
101.50
108.20
117.00
121.90
101.50
119.90
108.20
119.90
132.30
128.60
117.00
117.00
122.20
117.00
108.20
108.20
Continued on next page...
Page 165
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
54
21
21
54
54
21
21
54
21
54
54
54
54
54
21
21
54
54
21
21
21
34
36
54
54
54
54
21
26
54
21
21
54
54
54
54
54
54
21
21
BA
AA
BA
AA
AA
BA
BA
AA
AA
BA
AA
BA
BA
BA
BA
BA
AA
AA
BA
BA
AA
AA
AA
BL
BN
BA
BA
BA
BA
AA
BD
BA
AA
AA
BA
BA
BA
BA
BA
BA
AA
AA
2116
586
2272
99
1344
1109
2164
36
693
1266
869
190
1176
1345
1489
355
912
970
337
1294
732
1249
1267
33
71
342
931
2033
2255
1382
58
281
415
941
823
1213
2420
2537
2573
1877
13
760
G
C
U
C
C
C
C
C
G
G
G
A
U
C
C
U
C
C
C
U
C
C
C
ARG
ARG
A
U
A
G
C
ASN
C
A
G
C
A
C
U
C
A
U
G
Atoms
N1-C6-O6
N3-C2-O2
N3-C2-O2
N1-C2-O2
N3-C2-O2
N3-C2-O2
N1-C2-O2
C5'-C4'-C3'
N1-C6-O6
C1'-O4'-C4'
C3'-C2'-C1'
N1-C6-N6
N3-C2-O2
N3-C2-O2
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
N3-C2-O2
NE-CZ-NH1
NH1-CZ-NH2
C5-C6-N1
O4'-C1'-N1
C4-C5-C6
N3-C2-N2
N1-C2-O2
C-N-CA
N1-C2-O2
O4'-C1'-N9
N9-C1'-C2'
N1-C2-O2
C4-C5-C6
N1-C2-O2
C4'-C3'-C2'
C1'-O4'-C4'
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N9
Z
-5.50
-5.50
-5.50
5.50
-5.50
-5.50
5.50
-5.50
-5.50
-5.50
5.49
-5.49
-5.49
-5.49
5.49
5.49
-5.49
-5.49
-5.49
5.49
5.49
-5.49
-5.49
5.49
-5.49
5.49
5.49
-5.49
-5.49
5.49
5.49
5.49
5.49
-5.49
5.49
-5.49
5.49
-5.49
-5.49
-5.48
5.48
5.48
4V74
Observed( ) Ideal( )
o
116.60
118.05
118.35
122.20
118.05
118.05
122.20
107.21
116.60
105.50
105.89
115.30
118.35
118.06
122.20
112.59
118.06
118.06
118.06
112.59
122.19
118.06
118.06
123.04
113.36
120.44
112.59
114.25
116.06
122.19
135.42
122.19
112.59
105.97
122.19
114.26
122.19
97.11
105.51
114.26
112.59
112.59
o
119.90
121.90
122.20
118.90
121.90
121.90
118.90
116.00
119.90
109.90
101.50
118.60
122.20
121.90
118.90
108.20
121.90
121.90
121.90
108.20
118.90
121.90
121.90
120.30
119.40
117.70
108.20
117.00
119.90
118.90
121.70
118.90
108.20
112.00
118.90
117.00
118.90
102.60
109.90
117.00
108.20
108.20
Continued on next page...
Page 166
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
22
24
54
54
54
21
54
54
21
54
55
21
54
54
54
54
54
55
21
21
54
54
54
21
21
54
54
54
54
54
54
21
54
21
54
54
54
54
54
54
54
54
A1
A3
BA
BA
BA
AA
BA
BA
AA
BA
BB
AA
BA
BA
BA
BA
BA
BB
AA
AA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
AA
BA
AA
BA
BA
BA
BA
BA
BA
BA
BA
17
62
339
393
1602
857
1007
2447
143
982
69
43
1594
1898
2426
1781
1967
104
96
1257
66
732
1272
92
520
168
205
1794
2465
2596
2610
164
1386
832
371
1509
1895
1895
2896
58
1129
1152
U
C
U
C
U
C
C
G
A
C
G
C
U
U
A
U
C
A
U
A
C
C
A
U
A
G
G
A
C
U
C
G
C
G
A
A
C
C
C
G
A
C
Atoms
N3-C2-O2
N3-C2-O2
O4'-C1'-N1
N3-C2-O2
P-O3'-C3'
N1-C2-O2
N1-C2-O2
C1'-O4'-C4'
C4-C5-C6
O4'-C1'-N1
N1-C6-O6
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N9
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
C6-C5-N7
N3-C2-N2
C5-C6-N1
C6-C5-N7
O4'-C1'-N1
O4'-C1'-N1
N1-C2-O2
C1'-O4'-C4'
N3-C2-O2
N3-C2-N2
C4-C5-C6
O4'-C1'-N9
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N9
C4-C5-C6
O4'-C1'-N1
Z
-5.48
-5.48
5.48
-5.48
5.48
5.48
5.48
-5.48
-5.48
5.48
-5.48
-5.48
5.48
5.48
-5.48
-5.48
5.48
-5.48
5.47
5.47
5.47
-5.47
-5.47
5.47
5.47
-5.47
5.47
5.47
5.47
5.47
5.47
-5.47
-5.47
-5.47
-5.47
5.47
5.47
5.47
-5.47
5.46
-5.46
5.46
4V74
Observed( ) Ideal( )
o
118.36
118.06
112.59
118.06
126.28
122.19
122.19
105.52
114.26
112.58
116.61
118.07
112.58
112.58
114.26
118.37
112.58
114.26
112.58
112.58
112.58
118.07
114.26
112.58
136.13
116.07
114.24
136.13
112.58
112.58
122.18
105.53
118.07
116.07
114.27
112.57
122.18
112.57
118.07
112.57
114.27
112.57
o
122.20
121.90
108.20
121.90
119.70
118.90
118.90
109.90
117.00
108.20
119.90
121.90
108.20
108.20
117.00
122.20
108.20
117.00
108.20
108.20
108.20
121.90
117.00
108.20
132.30
119.90
111.50
132.30
108.20
108.20
118.90
109.90
121.90
119.90
117.00
108.20
118.90
108.20
121.90
108.20
117.00
108.20
Continued on next page...
Page 167
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
54
54
54
54
13
54
54
54
54
54
21
21
21
21
21
54
54
54
21
25
54
6
16
54
54
54
54
54
54
11
21
54
54
54
54
54
21
BA
BA
BA
BA
BA
BA
BA
BA
BA
AN
BA
BA
BA
BA
BA
AA
AA
AA
AA
AA
BA
BA
BA
AA
BC
BA
AG
AQ
BA
BA
BA
BA
BA
BA
AL
AA
BA
BA
BA
BA
BA
AA
2310
2527
2903
1627
2769
614
706
229
1936
13
179
525
1933
2676
2885
282
396
640
1039
1531
2434
676
2212
429
269
1020
69
76
364
1162
1409
2660
1854
923
85
686
881
1580
1743
1799
2734
1092
C
C
U
G
U
A
A
C
A
ARG
C
U
G
C
G
A
C
A
G
A
A
A
A
U
ARG
A
ARG
ARG
C
G
U
A
A
G
ARG
U
G
A
G
G
A
A
Atoms
N1-C2-O2
N1-C2-O2
O4'-C1'-N1
N3-C4-C5
O4'-C1'-N1
C1'-O4'-C4'
C4-C5-C6
N1-C2-O2
P-O3'-C3'
NE-CZ-NH1
N1-C2-O2
O4'-C1'-N1
C8-N9-C4
N3-C2-O2
N1-C6-O6
C4-C5-C6
N3-C2-O2
C4-C5-C6
N1-C6-O6
C4-C5-C6
C6-C5-N7
C4-C5-C6
C4-C5-C6
C5-C6-N1
NE-CZ-NH1
C4-C5-C6
NE-CZ-NH1
NE-CZ-NH1
N1-C2-O2
N1-C6-O6
O4'-C1'-N1
O4'-C1'-N9
C4-C5-C6
N1-C6-O6
NE-CZ-NH1
N3-C2-O2
N3-C2-N2
C6-C5-N7
N1-C6-O6
N3-C4-C5
C4-C5-C6
C4-C5-C6
Z
5.46
5.46
5.46
-5.46
5.46
-5.46
-5.46
5.46
5.46
5.46
5.46
5.46
-5.46
-5.46
-5.46
-5.46
-5.46
-5.46
-5.46
-5.46
5.46
-5.46
-5.46
-5.45
5.45
-5.45
5.45
5.45
5.45
-5.45
5.45
5.45
-5.45
-5.45
5.45
-5.45
-5.45
5.45
-5.45
-5.45
-5.45
-5.44
4V74
Observed( ) Ideal( )
o
122.18
122.18
112.57
125.87
112.57
105.53
114.27
122.18
126.25
123.03
122.17
112.57
104.22
118.08
116.62
114.27
118.08
114.27
116.63
114.27
136.12
114.27
114.27
119.97
123.03
114.27
123.03
123.03
122.17
116.63
112.56
112.56
114.28
116.63
123.02
118.39
116.09
136.11
116.63
125.88
114.28
114.28
o
118.90
118.90
108.20
128.60
108.20
109.90
117.00
118.90
119.70
120.30
118.90
108.20
106.40
121.90
119.90
117.00
121.90
117.00
119.90
117.00
132.30
117.00
117.00
122.70
120.30
117.00
120.30
120.30
118.90
119.90
108.20
108.20
117.00
119.90
120.30
122.20
119.90
132.30
119.90
128.60
117.00
117.00
Continued on next page...
Page 168
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
21
21
54
54
21
21
54
54
21
21
21
53
54
54
54
3
54
54
54
21
54
54
21
21
54
54
18
21
24
54
54
54
54
21
54
21
54
21
21
BA
BA
AA
AA
AA
BA
BA
AA
AA
BA
BA
AA
AA
AA
B4
BA
BA
BA
AD
BA
BA
BA
AA
BA
BA
AA
AA
BA
BA
AS
AA
A3
BA
BA
BA
BA
AA
BA
AA
BA
AA
AA
192
1291
37
1000
1437
1799
2286
156
503
372
2220
313
720
1099
4
882
1012
1958
42
492
831
1211
1251
175
2430
1194
1324
443
2838
77
209
42
1089
1317
1519
2785
818
2459
274
1857
517
722
C
C
U
A
A
G
G
C
C
G
U
A
C
G
ARG
G
U
C
ALA
A
G
C
A
G
A
U
A
A
G
ARG
U
C
A
G
G
C
G
A
A
G
G
G
Atoms
N1-C2-O2
N3-C4-C5
N3-C2-O2
C4-C5-C6
C4-C5-C6
C8-N9-C4
N1-C6-O6
O4'-C1'-N1
O4'-C1'-N1
N1-C6-O6
O4'-C1'-N1
C6-C5-N7
N1-C2-O2
C5-C6-N1
NE-CZ-NH1
N3-C2-N2
O4'-C1'-N1
N3-C2-O2
C-N-CA
C4-C5-C6
C5-C6-N1
N1-C2-O2
C6-C5-N7
N1-C6-O6
C4-C5-C6
N3-C2-O2
C5-C6-N1
C4-C5-C6
C4'-C3'-C2'
NE-CZ-NH1
N3-C2-O2
N1-C2-O2
C3'-C2'-C1'
C1'-O4'-C4'
N1-C6-O6
O4'-C1'-N1
C5-C6-N1
C4-C5-C6
C6-C5-N7
O4'-C1'-N9
O4'-C1'-N9
N3-C4-C5
Z
5.44
5.44
-5.44
-5.44
-5.44
-5.44
-5.44
5.44
5.44
-5.44
5.44
5.44
5.44
5.44
5.44
-5.44
5.44
-5.44
5.44
-5.44
5.44
5.44
5.43
-5.43
-5.43
-5.43
5.43
-5.43
-5.43
5.43
-5.43
5.43
5.43
-5.43
-5.43
5.43
5.43
-5.43
5.43
5.43
5.43
-5.43
4V74
Observed( ) Ideal( )
o
122.17
124.08
118.39
114.28
114.28
104.22
116.63
112.55
112.55
116.64
112.55
136.11
122.16
114.22
123.02
116.09
112.55
118.09
135.29
114.28
114.22
122.16
136.10
116.64
114.28
118.40
120.42
114.28
97.17
123.02
118.40
122.16
105.84
105.56
116.64
112.55
114.22
114.28
136.10
112.54
112.54
125.89
o
118.90
121.90
122.20
117.00
117.00
106.40
119.90
108.20
108.20
119.90
108.20
132.30
118.90
111.50
120.30
119.90
108.20
121.90
121.70
117.00
111.50
118.90
132.30
119.90
117.00
122.20
117.70
117.00
102.60
120.30
122.20
118.90
101.50
109.90
119.90
108.20
111.50
117.00
132.30
108.20
108.20
128.60
Continued on next page...
Page 169
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
22
54
54
54
21
28
54
54
54
54
54
21
54
54
21
21
42
54
54
54
21
21
54
9
21
24
54
54
54
21
35
54
54
54
54
54
54
21
54
54
AA
AA
A1
BA
BA
BA
AA
BF
BA
BA
BA
BA
BA
AA
BA
BA
AA
AA
BT
BA
BA
BA
AA
AA
BA
AJ
AA
A3
BA
BA
BA
AA
BM
BA
BA
BA
BA
BA
BA
AA
BA
BA
765
1020
74
1748
2776
2838
1036
94
1000
1367
1542
2065
2889
845
574
2040
560
765
73
81
556
2066
108
993
484
72
1183
16
1101
1259
2700
1377
40
899
2516
2805
1794
2342
2760
430
300
1233
G
G
C
C
A
G
A
ARG
A
A
U
C
C
A
A
G
A
G
ARG
G
A
C
G
G
C
ARG
U
C
U
G
A
A
ARG
A
A
C
A
C
C
A
A
C
Atoms
N1-C6-O6
N1-C6-O6
N3-C2-O2
N3-C2-O2
O4'-C1'-N9
N1-C6-O6
C4-C5-C6
NE-CZ-NH1
C1'-O4'-C4'
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N1
C5'-C4'-O4'
C4-C5-C6
N3-C2-N2
C3'-C2'-C1'
N3-C4-C5
NE-CZ-NH1
N1-C6-O6
C4-C5-C6
O4'-C1'-N1
N3-C4-C5
N1-C6-O6
N3-C2-O2
CD-NE-CZ
N3-C2-O2
C3'-C2'-C1'
O4'-C1'-N1
N1-C6-O6
C4-C5-C6
C4-C5-C6
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
N3-C2-O2
O4'-C1'-N9
N1-C2-O2
N3-C4-C5
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
Z
-5.43
-5.43
-5.43
-5.43
5.43
-5.43
-5.42
5.42
-5.42
-5.42
5.42
-5.42
5.42
5.42
-5.42
-5.42
5.42
-5.42
5.42
-5.42
-5.42
5.42
-5.42
-5.42
-5.42
5.42
-5.42
5.42
5.42
-5.42
-5.42
-5.42
5.42
-5.42
-5.42
-5.42
5.42
5.41
5.41
-5.41
-5.41
5.41
4V74
Observed( ) Ideal( )
o
116.64
116.64
118.10
118.10
112.54
116.64
114.29
123.01
105.56
114.29
112.54
118.10
112.54
115.61
114.29
116.10
105.84
125.89
123.01
116.65
114.29
112.54
125.89
116.65
118.11
131.19
118.41
105.84
112.53
116.65
114.29
114.29
123.01
114.29
114.29
118.11
112.53
122.15
124.07
114.30
114.30
112.53
o
119.90
119.90
121.90
121.90
108.20
119.90
117.00
120.30
109.90
117.00
108.20
121.90
108.20
109.10
117.00
119.90
101.50
128.60
120.30
119.90
117.00
108.20
128.60
119.90
121.90
123.60
122.20
101.50
108.20
119.90
117.00
117.00
120.30
117.00
117.00
121.90
108.20
118.90
121.90
117.00
117.00
108.20
Continued on next page...
Page 170
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
55
21
24
21
21
21
54
54
54
54
54
21
21
28
54
54
55
13
21
21
54
54
18
21
54
54
54
4
21
21
54
21
29
54
54
54
21
21
BA
BA
BA
BA
BB
AA
A3
AA
AA
AA
BA
BA
BA
BA
BA
AA
AA
BF
BA
BA
BB
AN
AA
AA
BA
BA
AS
AA
BA
BA
BA
AE
AA
AA
BA
AA
BG
BA
BA
BA
AA
AA
1555
1944
1865
2432
53
1519
67
575
1080
1218
1089
1398
1862
2070
2080
818
1129
114
1786
1832
4
63
995
1226
503
2134
54
124
615
1189
1363
28
477
569
1579
1229
94
1086
1536
1726
122
924
G
U
U
A
A
A
C
G
A
C
A
C
G
A
A
G
C
ARG
A
C
C
ARG
C
C
A
A
ARG
C
U
A
C
ARG
C
C
A
A
ARG
A
C
C
G
C
Atoms
N3-C4-C5
P-O3'-C3'
O4'-C1'-N1
O4'-C1'-N9
N1-C6-N6
C4-C5-C6
N1-C2-O2
P-O3'-C3'
C4-C5-C6
N1-C2-O2
C4-C5-C6
O4'-C1'-N1
C8-N9-C4
C6-C5-N7
C4-C5-C6
N3-C4-C5
C3'-C2'-C1'
NE-CZ-NH1
C4-C5-C6
C3'-C2'-C1'
O4'-C1'-N1
NE-CZ-NH1
N3-C2-O2
N1-C2-O2
C3'-C2'-C1'
C6-C5-N7
NE-CZ-NH1
C1'-O4'-C4'
O4'-C1'-N1
C4-C5-C6
N1-C2-O2
NE-CZ-NH1
N3-C2-O2
N3-C2-O2
C4-C5-C6
C5'-C4'-O4'
NE-CZ-NH1
O4'-C1'-N9
N1-C2-O2
N3-C2-O2
N3-C2-N2
N3-C2-O2
Z
-5.41
5.41
5.41
5.41
-5.41
-5.41
5.41
5.41
-5.41
5.41
-5.41
5.41
-5.41
5.41
-5.41
-5.40
5.40
5.40
-5.40
5.40
5.40
5.40
-5.40
5.40
5.40
5.40
5.40
-5.40
5.40
-5.40
5.40
5.40
-5.40
-5.40
-5.40
5.40
5.40
5.40
5.40
-5.40
-5.40
-5.40
4V74
Observed( ) Ideal( )
o
125.89
126.19
112.53
112.53
115.36
114.30
122.14
126.19
114.30
122.14
114.30
112.52
104.24
136.08
114.30
125.90
105.82
123.00
114.30
105.82
112.52
123.00
118.12
122.14
105.82
136.08
123.00
105.58
112.52
114.30
122.14
123.00
118.12
118.12
114.30
115.58
123.00
112.52
122.14
118.12
116.12
118.12
o
128.60
119.70
108.20
108.20
118.60
117.00
118.90
119.70
117.00
118.90
117.00
108.20
106.40
132.30
117.00
128.60
101.50
120.30
117.00
101.50
108.20
120.30
121.90
118.90
101.50
132.30
120.30
109.90
108.20
117.00
118.90
120.30
121.90
121.90
117.00
109.10
120.30
108.20
118.90
121.90
119.90
121.90
Continued on next page...
Page 171
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
21
54
54
54
54
3
21
54
24
54
54
54
8
21
21
54
54
54
54
54
21
21
54
21
54
25
21
54
21
21
24
54
54
54
54
14
54
54
21
21
AA
AA
AA
BA
BA
BA
BA
AD
AA
BA
A3
BA
BA
BA
AI
AA
AA
BA
BA
BA
BA
BA
AA
AA
BA
AA
BA
BC
AA
BA
AA
AA
A3
BA
BA
BA
BA
AO
BA
BA
AA
AA
827
1192
1268
57
490
665
2499
153
1453
2511
57
33
351
2112
108
1099
1156
2813
1812
2762
1325
1828
1224
1259
2198
365
262
100
118
2667
372
981
71
97
1121
2350
2611
57
143
420
1200
1487
U
C
G
C
C
U
C
ARG
G
U
C
C
C
G
ARG
G
G
A
U
C
U
G
U
C
A
U
A
ARG
U
C
C
U
G
C
C
C
C
ARG
C
C
C
G
Atoms
N3-C2-O2
N1-C2-O2
C5-C6-N1
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
O4'-C1'-N1
NE-CZ-NH2
N3-C4-C5
O4'-C1'-N1
N3-C2-O2
O4'-C4'-C3'
N1-C2-O2
N1-C6-O6
NE-CZ-NH1
N1-C6-O6
N1-C6-O6
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N1
O4'-C1'-N1
O4'-C1'-N9
N3-C2-O2
N1-C2-O2
C4-C5-C6
C1'-O4'-C4'
C4-C5-C6
NE-CZ-NH1
N3-C2-O2
N1-C2-O2
N3-C2-O2
O4'-C1'-N1
N1-C6-O6
O4'-C1'-N1
O4'-C1'-N1
N3-C2-O2
N1-C2-O2
NE-CZ-NH1
N1-C2-O2
N1-C2-O2
N1-C2-O2
C5-C6-N1
Z
-5.39
5.39
5.39
5.39
5.39
5.39
5.39
-5.39
-5.39
5.39
-5.39
5.39
5.39
-5.39
5.39
-5.39
-5.39
-5.39
5.39
5.39
5.39
5.39
-5.38
5.38
-5.38
-5.38
-5.38
5.38
-5.38
5.38
-5.38
5.38
-5.38
5.38
5.38
-5.38
5.38
5.38
5.38
5.38
5.38
5.38
4V74
Observed( ) Ideal( )
o
118.42
122.14
114.20
112.52
122.14
112.52
112.52
117.60
125.90
112.51
118.13
110.41
122.14
116.67
122.99
116.67
116.67
114.31
112.51
112.51
112.51
112.51
118.43
122.13
114.31
105.59
114.31
122.99
118.43
122.13
118.14
112.50
116.67
112.50
112.50
118.14
122.13
122.99
122.12
122.13
122.12
114.19
o
122.20
118.90
111.50
108.20
118.90
108.20
108.20
120.30
128.60
108.20
121.90
106.10
118.90
119.90
120.30
119.90
119.90
117.00
108.20
108.20
108.20
108.20
122.20
118.90
117.00
109.90
117.00
120.30
122.20
118.90
121.90
108.20
119.90
108.20
108.20
121.90
118.90
120.30
118.90
118.90
118.90
111.50
Continued on next page...
Page 172
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
55
21
21
24
54
21
54
21
54
54
21
21
21
32
54
54
54
54
54
54
55
21
21
54
3
21
21
55
21
54
55
21
21
21
54
54
54
54
BA
BA
BA
BA
BB
AA
AA
A3
BA
AA
BA
AA
BA
BA
AA
AA
AA
BJ
BA
BA
BA
BA
BA
BA
BB
AA
AA
BA
AD
AA
AA
BB
AA
BA
BB
AA
AA
AA
BA
BA
BA
BA
1521
2856
726
2062
90
149
907
69
249
1150
2009
171
1563
2100
35
251
1474
69
1615
2486
1628
1644
2680
2861
89
153
1532
2135
103
347
1055
41
189
2209
101
456
1202
1346
141
575
1969
2458
G
A
G
A
C
A
A
C
C
A
A
A
U
G
G
G
U
ARG
C
C
G
C
U
U
U
C
U
A
ARG
G
A
G
A
G
A
A
U
A
G
A
A
G
Atoms
C5-C6-N1
C4-C5-C6
N3-C4-C5
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
C6-C5-N7
C4-C5-C6
C6-C5-N7
O4'-C1'-N1
N3-C2-N2
N3-C4-C5
N3-C4-C5
O4'-C1'-N1
NE-CZ-NH1
O4'-C1'-N1
N1-C2-O2
N3-C2-N2
O4'-C1'-N1
O4'-C1'-N1
O4'-C1'-N1
N3-C2-O2
N3-C2-O2
C1'-O4'-C4'
C4-C5-C6
CD-NE-CZ
N3-C4-C5
P-O3'-C3'
N3-C4-C5
C4-C5-C6
N1-C6-O6
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
C1'-O4'-C4'
N1-C6-O6
C6-C5-N7
C4-C5-C6
C5-C6-N1
Z
5.38
-5.38
-5.37
-5.37
-5.37
-5.37
-5.37
-5.37
5.37
5.37
-5.37
5.37
5.37
-5.37
-5.37
-5.37
5.37
5.37
5.37
5.37
-5.36
5.36
5.36
5.36
-5.36
-5.36
-5.36
-5.36
5.36
-5.36
5.36
-5.36
-5.36
-5.36
-5.36
-5.36
5.36
-5.36
-5.36
5.36
-5.36
5.36
4V74
Observed( ) Ideal( )
o
114.19
114.31
125.91
114.31
118.14
114.31
114.31
118.14
112.50
136.06
114.31
136.06
112.49
116.14
125.92
125.92
112.49
122.98
112.49
122.12
116.15
112.49
112.49
112.49
118.45
118.15
105.61
114.32
131.10
125.92
126.13
125.92
114.32
116.69
114.32
114.32
112.49
105.61
116.69
136.05
114.32
114.18
o
111.50
117.00
128.60
117.00
121.90
117.00
117.00
121.90
108.20
132.30
117.00
132.30
108.20
119.90
128.60
128.60
108.20
120.30
108.20
118.90
119.90
108.20
108.20
108.20
122.20
121.90
109.90
117.00
123.60
128.60
119.70
128.60
117.00
119.90
117.00
117.00
108.20
109.90
119.90
132.30
117.00
111.50
Continued on next page...
Page 173
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
55
21
21
21
21
42
54
54
54
51
21
21
21
54
54
54
21
54
54
54
21
54
54
54
54
54
54
21
21
21
28
54
54
54
54
55
14
21
34
21
21
21
BB
AA
AA
AA
AA
BT
BA
BA
BA
B2
AA
AA
AA
BA
BA
BA
AA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AA
AA
AA
BF
BA
BA
BA
BA
BB
AO
AA
BL
AA
AA
AA
46
784
1294
1403
1461
6
1752
2711
2824
34
463
806
1151
1053
2286
2517
627
457
1011
1905
999
31
207
227
368
1175
1884
302
512
1169
29
74
502
787
2395
26
62
1048
69
499
703
1287
A
A
G
C
G
ARG
C
A
C
ARG
U
C
A
C
G
C
G
A
G
C
C
C
A
A
A
A
G
G
U
A
ARG
A
A
C
C
C
ARG
G
ARG
A
G
A
Atoms
C4-C5-C6
C6-C5-N7
N1-C6-O6
N1-C2-O2
N1-C6-O6
NE-CZ-NH2
N1-C2-O2
C6-C5-N7
N3-C2-O2
NE-CZ-NH2
N3-C2-O2
C1'-O4'-C4'
C5'-C4'-C3'
N3-C2-O2
C1'-O4'-C4'
N1-C2-O2
N1-C6-O6
C6-C5-N7
O4'-C1'-N9
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
C4-C5-C6
C6-C5-N7
C4-C5-C6
C6-C5-N7
O4'-C1'-N9
N1-C6-O6
C5-C6-N1
C4-C5-C6
CD-NE-CZ
C4-C5-C6
C4-C5-C6
N3-C4-C5
O4'-C1'-N1
O4'-C1'-N1
NE-CZ-NH1
N1-C6-O6
NE-CZ-NH1
C4-C5-C6
C8-N9-C4
C6-C5-N7
Z
-5.36
5.36
-5.36
5.36
-5.36
5.36
5.36
5.36
-5.36
-5.35
-5.35
-5.35
-5.35
-5.35
-5.35
5.35
-5.35
5.35
5.35
5.35
5.35
5.35
-5.35
5.35
-5.35
5.35
5.35
-5.35
-5.35
-5.35
5.35
-5.35
-5.35
5.35
5.35
5.35
5.35
-5.35
5.35
-5.34
-5.34
5.34
4V74
Observed( ) Ideal( )
o
114.32
136.05
116.69
122.11
116.69
122.98
122.11
136.05
118.15
117.62
118.45
105.62
107.44
118.15
105.62
122.11
116.69
136.05
112.48
122.11
112.48
122.11
114.33
136.04
114.33
136.04
112.48
116.69
120.03
114.33
131.09
114.33
114.33
124.04
112.48
112.48
122.97
116.69
122.97
114.33
104.26
136.04
o
117.00
132.30
119.90
118.90
119.90
120.30
118.90
132.30
121.90
120.30
122.20
109.90
116.00
121.90
109.90
118.90
119.90
132.30
108.20
118.90
108.20
118.90
117.00
132.30
117.00
132.30
108.20
119.90
122.70
117.00
123.60
117.00
117.00
121.90
108.20
108.20
120.30
119.90
120.30
117.00
106.40
132.30
Continued on next page...
Page 174
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
24
54
11
54
54
54
54
55
21
54
54
54
54
54
54
54
21
22
54
54
54
54
54
21
21
54
54
54
54
54
21
54
54
54
21
21
21
54
21
38
BA
AA
A3
BA
AL
BA
BA
BA
BA
BB
AA
BA
BA
BA
BA
BA
BA
BA
AA
A1
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
AA
BA
BA
BA
AA
AA
AA
BA
AA
BP
2321
758
54
12
55
724
1122
2172
2620
80
518
109
986
1103
560
1332
2394
2612
1216
4
441
783
901
336
2480
697
1190
49
338
1760
2275
2297
1217
2639
354
440
572
753
890
1604
1055
97
U
C
G
U
ARG
U
G
U
C
U
C
C
C
A
C
G
C
C
A
U
U
A
C
C
C
U
G
A
G
C
C
A
C
A
A
C
A
A
G
C
A
TYR
Atoms
N3-C2-O2
N1-C2-O2
N3-C2-N2
O4'-C1'-N1
NE-CZ-NH1
O4'-C1'-N1
N1-C6-O6
C1'-O4'-C4'
N3-C2-O2
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
N3-C2-O2
N1-C6-O6
N1-C2-O2
N1-C2-O2
O4'-C1'-N9
O4'-C1'-N1
O4'-C1'-N1
C4-C5-C6
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
N1-C6-O6
O4'-C1'-N9
N1-C6-O6
O4'-C1'-N1
O4'-C1'-N1
C4-C5-C6
C1'-O4'-C4'
C6-C5-N7
C4-C5-C6
N3-C2-O2
C4-C5-C6
C4-C5-C6
O4'-C1'-N9
N3-C2-O2
C4-C5-C6
CB-CG-CD2
Z
-5.34
5.34
-5.34
5.34
5.34
5.34
-5.34
-5.34
-5.34
5.34
5.34
5.34
-5.34
-5.34
-5.34
-5.34
5.34
5.34
5.34
5.34
5.34
-5.34
5.34
5.33
5.33
5.33
-5.33
5.33
-5.33
5.33
5.33
-5.33
-5.33
5.33
-5.33
-5.33
-5.33
-5.33
5.33
-5.33
-5.33
-5.33
4V74
Observed( ) Ideal( )
o
118.46
122.11
116.16
112.47
122.97
112.47
116.69
105.63
118.16
112.47
122.10
112.47
118.16
114.33
118.16
116.70
122.10
122.10
112.47
112.47
112.47
114.33
122.10
112.47
122.10
112.47
116.70
112.47
116.70
112.47
112.47
114.33
105.64
136.03
114.33
118.17
114.34
114.34
112.46
118.17
114.34
117.80
o
122.20
118.90
119.90
108.20
120.30
108.20
119.90
109.90
121.90
108.20
118.90
108.20
121.90
117.00
121.90
119.90
118.90
118.90
108.20
108.20
108.20
117.00
118.90
108.20
118.90
108.20
119.90
108.20
119.90
108.20
108.20
117.00
109.90
132.30
117.00
121.90
117.00
117.00
108.20
121.90
117.00
121.00
Continued on next page...
Page 175
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
21
21
54
54
21
21
21
24
55
21
21
54
54
22
20
39
54
54
54
54
54
54
54
54
21
54
21
54
54
54
54
21
21
33
54
54
54
54
54
AA
BA
BA
AA
AA
BA
BA
AA
AA
AA
A3
BB
AA
AA
BA
BA
A1
AU
BQ
BA
BA
BA
BA
BA
BA
BA
BA
AA
BA
AA
BA
BA
BA
BA
AA
AA
BK
BA
BA
BA
BA
BA
808
576
962
86
618
444
2439
355
588
1046
77
19
654
890
1691
2179
75
33
57
544
1217
2390
2826
149
218
1245
2880
316
2424
641
672
1499
1819
2443
5
559
32
405
1317
705
734
1098
C
U
G
G
C
C
A
C
G
A
A
C
G
G
C
C
C
ARG
ARG
C
U
U
A
A
A
G
C
C
C
U
C
C
A
C
U
A
TYR
U
G
A
A
A
Atoms
N1-C2-O2
O4'-C1'-N1
N3-C2-N2
N3-C4-C5
N3-C2-O2
N3-C2-O2
C4-C5-C6
N3-C2-O2
N1-C6-O6
C6-C5-N7
C6-C5-N7
O4'-C1'-N1
N3-C2-N2
N3-C4-C5
N3-C2-O2
N1-C2-O2
N1-C2-O2
NE-CZ-NH1
NE-CZ-NH1
N1-C2-O2
O4'-C1'-N1
O4'-C1'-N1
C4-C5-C6
C5'-C4'-O4'
C4-C5-C6
N3-C2-N2
N1-C2-O2
N1-C2-O2
N1-C2-O2
C3'-C2'-C1'
N1-C2-O2
N3-C2-O2
C4-C5-C6
C5'-C4'-O4'
N1-C2-N3
C4-C5-C6
CB-CG-CD1
N3-C2-O2
N1-C6-O6
C4-C5-C6
C4-C5-C6
C4-C5-C6
Z
5.33
5.33
-5.33
-5.32
-5.32
-5.32
-5.32
-5.32
-5.32
5.32
5.32
5.32
-5.32
-5.32
-5.32
5.32
5.32
5.32
5.32
5.32
5.32
5.32
-5.32
5.32
-5.32
-5.32
5.32
5.31
5.31
5.31
5.31
-5.31
-5.31
5.31
5.31
-5.31
-5.31
-5.31
-5.31
-5.31
-5.31
-5.31
4V74
Observed( ) Ideal( )
o
122.10
112.46
116.17
125.94
118.17
118.17
114.34
118.17
116.71
136.03
136.03
112.46
116.18
125.94
118.18
122.09
122.09
122.96
122.96
122.09
112.45
112.45
114.34
115.48
114.34
116.18
122.09
122.09
122.09
105.75
122.09
118.18
114.34
115.47
118.09
114.34
117.81
118.48
116.71
114.35
114.34
114.34
o
118.90
108.20
119.90
128.60
121.90
121.90
117.00
121.90
119.90
132.30
132.30
108.20
119.90
128.60
121.90
118.90
118.90
120.30
120.30
118.90
108.20
108.20
117.00
109.10
117.00
119.90
118.90
118.90
118.90
101.50
118.90
121.90
117.00
109.10
114.90
117.00
121.00
122.20
119.90
117.00
117.00
117.00
Continued on next page...
Page 176
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
21
54
54
54
21
54
21
21
21
54
54
54
21
21
46
54
3
21
21
54
54
21
21
21
54
54
21
54
54
21
54
54
54
54
55
9
21
54
54
BA
BA
AA
AA
BA
BA
BA
AA
BA
AA
AA
AA
BA
BA
BA
AA
AA
BX
BA
AD
AA
AA
BA
BA
AA
AA
AA
BA
BA
AA
BA
BA
AA
BA
BA
BA
BA
BB
AJ
AA
BA
BA
1967
1985
493
934
580
1612
2457
1237
2284
454
535
922
1488
2685
1104
438
1222
44
2090
48
258
496
344
1597
269
1446
1490
129
1286
1361
324
2160
416
508
631
2776
2863
13
16
871
1457
2503
C
C
A
C
U
C
U
C
A
G
A
G
C
G
C
U
G
ARG
A
SER
G
A
A
A
C
A
U
C
A
G
A
C
G
A
A
A
C
G
ARG
U
U
A
Atoms
N3-C4-C5
O4'-C1'-N1
O4'-C1'-N9
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
C4-C5-C6
N3-C2-N2
C4-C5-C6
N3-C4-C5
N3-C2-O2
N3-C2-N2
C5'-C4'-O4'
N3-C2-O2
N3-C2-N2
NE-CZ-NH2
C4-C5-C6
C-N-CA
N1-C6-O6
O4'-C1'-N9
C4-C5-C6
C6-C5-N7
O4'-C1'-N1
O4'-C1'-N9
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
N1-C6-O6
C6-C5-N7
N1-C2-O2
O4'-C1'-N9
C4-C5-C6
C6-C5-N7
C4-C5-C6
N3-C2-O2
N1-C6-O6
NH1-CZ-NH2
O4'-C1'-N1
O4'-C1'-N1
C4-C5-C6
Z
5.31
5.31
5.31
5.31
5.31
5.31
5.31
5.31
-5.31
-5.30
-5.30
-5.30
-5.30
-5.30
5.30
-5.30
-5.30
-5.30
-5.30
5.30
-5.30
5.30
-5.30
5.30
5.30
5.30
5.30
-5.30
-5.30
-5.29
5.29
5.29
5.29
-5.29
5.29
-5.29
-5.29
-5.29
-5.29
5.29
5.29
-5.29
4V74
Observed( ) Ideal( )
o
124.02
112.45
112.45
122.08
112.45
122.08
112.44
122.08
114.35
116.19
114.35
125.95
118.19
116.19
115.46
118.49
116.19
117.65
114.35
134.95
116.72
112.44
114.35
136.01
112.44
112.44
112.44
118.19
114.35
116.72
136.01
122.08
112.44
114.35
136.01
114.35
118.19
116.72
113.58
112.43
112.43
114.35
o
121.90
108.20
108.20
118.90
108.20
118.90
108.20
118.90
117.00
119.90
117.00
128.60
121.90
119.90
109.10
122.20
119.90
120.30
117.00
121.70
119.90
108.20
117.00
132.30
108.20
108.20
108.20
121.90
117.00
119.90
132.30
118.90
108.20
117.00
132.30
117.00
121.90
119.90
119.40
108.20
108.20
117.00
Continued on next page...
Page 177
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
21
54
54
54
54
55
21
54
54
54
54
54
54
24
54
54
21
21
54
54
54
55
21
21
21
21
54
54
54
54
54
54
54
54
54
54
54
21
21
BA
AA
AA
AA
BA
BA
BA
BA
BB
AA
BA
BA
BA
BA
BA
BA
A3
BA
BA
AA
AA
BA
BA
BA
BB
AA
AA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
2568
53
83
188
1977
480
601
1035
28
236
790
1014
1293
1446
1615
2240
74
359
2431
1084
1096
1227
1993
2144
44
195
383
706
1190
265
447
634
1288
2443
2601
405
2155
2627
2691
2703
216
575
U
A
C
C
A
A
C
U
C
A
U
A
C
C
C
U
A
G
U
G
C
G
U
G
G
A
A
A
G
A
A
C
G
C
C
U
U
G
C
C
U
G
Atoms
O4'-C1'-N1
C6-C5-N7
N1-C2-O2
N1-C2-O2
C4-C5-C6
C4-C5-C6
N1-C2-O2
N3-C2-O2
N1-C2-O2
C4-C5-C6
C5-C6-N1
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
O4'-C1'-N9
N1-C6-O6
C5-C6-N1
N1-C6-O6
N1-C2-O2
O4'-C1'-N9
O4'-C1'-N1
N1-C6-O6
N1-C6-O6
C4-C5-C6
C4-C5-C6
C6-C5-N7
P-O3'-C3'
C4-C5-C6
C4-C5-C6
O4'-C1'-N1
N3-C4-C5
N1-C2-O2
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
N9-C4-C5
N1-C2-O2
N3-C2-O2
N3-C2-O2
N1-C6-O6
Z
5.29
5.29
5.29
5.29
-5.29
-5.29
5.29
-5.29
5.29
-5.29
-5.29
-5.29
5.29
5.29
5.29
5.29
5.28
-5.28
-5.28
-5.28
5.28
5.28
5.28
-5.28
-5.28
-5.28
-5.28
5.28
5.28
-5.28
-5.28
5.28
-5.28
5.28
5.28
5.28
-5.28
5.28
5.28
-5.28
-5.28
-5.28
4V74
Observed( ) Ideal( )
o
112.43
136.00
122.07
122.07
114.36
114.36
122.07
118.50
122.07
114.36
120.06
114.36
112.43
112.43
122.07
112.43
112.43
116.73
120.06
116.73
122.07
112.43
112.42
116.73
116.73
114.36
114.36
136.00
126.04
114.36
114.36
112.42
125.96
122.07
122.07
112.42
118.50
107.51
122.07
118.21
118.51
116.73
o
108.20
132.30
118.90
118.90
117.00
117.00
118.90
122.20
118.90
117.00
122.70
117.00
108.20
108.20
118.90
108.20
108.20
119.90
122.70
119.90
118.90
108.20
108.20
119.90
119.90
117.00
117.00
132.30
119.70
117.00
117.00
108.20
128.60
118.90
118.90
108.20
122.20
105.40
118.90
121.90
122.20
119.90
Continued on next page...
Page 178
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
35
54
21
21
54
54
54
54
54
21
6
21
21
21
21
54
54
54
54
54
54
54
54
21
21
54
54
54
11
21
21
36
54
54
54
21
25
54
54
54
AA
AA
BM
BA
AA
AA
BA
BA
BA
BA
BA
AA
AG
AA
AA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
AL
AA
AA
BN
BA
BA
BA
AA
BC
BA
BA
BA
1135
1479
50
1157
1132
57
391
664
1000
1436
1659
988
110
432
586
612
860
4
310
430
516
1051
1412
2023
2530
699
1469
639
1681
288
93
1033
1076
22
251
1433
2265
1412
62
1202
1500
751
U
C
ARG
G
C
G
A
G
A
G
G
G
ARG
A
C
C
A
U
A
A
C
G
U
C
A
C
C
U
G
U
ARG
G
U
ARG
A
A
U
C
ARG
G
G
A
Atoms
O4'-C1'-N1
C3'-C2'-C1'
NE-CZ-NH1
N1-C6-O6
N1-C2-O2
N1-C6-O6
N1-C6-N6
N1-C6-O6
C6-C5-N7
O4'-C1'-N9
N1-C6-O6
N3-C4-C5
NE-CZ-NH2
O4'-C1'-N9
O4'-C1'-N1
N1-C2-O2
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N1-C2-O2
C1'-O4'-C4'
O4'-C1'-N1
O4'-C1'-N1
C5'-C4'-C3'
N1-C2-O2
N1-C2-O2
N3-C2-O2
N1-C6-O6
O4'-C1'-N1
NE-CZ-NH1
O4'-C1'-N9
C5-C6-N1
NE-CZ-NH1
C4-C5-C6
C6-C5-N7
O4'-C1'-N1
O4'-C1'-N1
NE-CZ-NH1
O4'-C1'-N9
O4'-C1'-N9
C4-C5-C6
Z
5.28
5.28
5.28
-5.28
5.27
-5.27
-5.27
-5.27
5.27
5.27
-5.27
-5.27
-5.27
5.27
5.27
5.27
-5.27
5.27
-5.27
-5.27
5.27
-5.27
5.27
5.27
-5.27
5.27
5.27
-5.27
-5.27
5.27
5.26
5.26
-5.26
5.26
-5.26
5.26
5.26
5.26
5.26
5.26
5.26
-5.26
4V74
Observed( ) Ideal( )
o
112.42
105.72
122.94
116.73
122.06
116.74
115.44
116.74
135.99
112.42
116.74
125.96
117.67
112.42
112.42
122.06
114.36
112.42
114.37
114.36
122.06
105.69
112.42
112.42
107.57
122.06
122.06
118.51
116.74
112.41
122.93
112.41
120.07
122.93
114.37
135.99
112.41
112.41
122.93
112.41
112.41
114.37
o
108.20
101.50
120.30
119.90
118.90
119.90
118.60
119.90
132.30
108.20
119.90
128.60
120.30
108.20
108.20
118.90
117.00
108.20
117.00
117.00
118.90
109.90
108.20
108.20
116.00
118.90
118.90
122.20
119.90
108.20
120.30
108.20
122.70
120.30
117.00
132.30
108.20
108.20
120.30
108.20
108.20
117.00
Continued on next page...
Page 179
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
54
55
21
54
54
21
54
54
54
54
21
21
21
54
54
54
54
54
54
54
21
21
22
54
54
54
54
30
54
54
54
54
21
23
54
54
21
21
21
BA
BA
BA
BA
BB
AA
BA
BA
AA
BA
BA
BA
BA
AA
AA
AA
BA
BA
BA
BA
BA
BA
BA
AA
AA
A1
BA
BA
BA
BA
BH
BA
BA
BA
BA
AA
A2
BA
BA
AA
AA
AA
932
1071
1478
1677
69
1455
47
335
242
1395
1558
2097
2576
593
616
1336
360
727
1308
2147
449
817
2307
1054
1256
25
759
1419
2491
2576
27
1029
1269
2501
2644
584
87
75
1524
547
665
797
U
G
G
A
G
G
C
C
G
A
C
A
G
U
G
C
U
A
A
A
A
C
G
C
A
C
G
A
U
G
ARG
A
A
C
G
G
U
G
G
A
A
C
Atoms
N3-C2-O2
N1-C6-O6
N1-C6-O6
C4-C5-C6
O4'-C1'-N9
N1-C6-O6
N1-C2-O2
N3-C2-O2
N1-C6-O6
C1'-O4'-C4'
N3-C2-O2
C6-C5-N7
N3-C4-C5
C5-C6-N1
N3-C2-N2
O4'-C1'-N1
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
C4-C5-C6
C4-C5-C6
N1-C2-O2
N1-C6-O6
O4'-C1'-N1
C4-C5-C6
N1-C2-O2
N1-C6-O6
C4-C5-C6
N3-C2-O2
C5-C6-N1
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
N1-C2-O2
O4'-C1'-N9
N3-C4-C5
C5-C6-N1
N1-C6-O6
N1-C6-O6
C6-C5-N7
C6-C5-N7
N3-C2-O2
Z
-5.26
-5.26
-5.26
-5.26
5.26
-5.26
5.26
-5.26
-5.26
-5.26
-5.26
5.26
-5.26
-5.26
-5.26
5.26
5.26
-5.26
-5.26
-5.26
-5.25
5.25
-5.25
5.25
-5.25
5.25
-5.25
-5.25
-5.25
5.25
5.25
-5.25
-5.25
5.25
5.25
-5.25
-5.25
-5.25
-5.25
5.25
5.25
-5.25
4V74
Observed( ) Ideal( )
o
118.52
116.74
116.74
114.37
112.41
116.74
122.06
118.22
116.75
105.69
118.22
135.98
125.97
120.07
116.22
112.41
112.41
114.37
114.37
114.37
114.37
122.05
116.75
112.40
114.37
122.05
116.75
114.37
118.52
114.13
122.93
114.38
114.37
122.05
112.40
125.98
120.08
116.75
116.75
135.97
135.97
118.23
o
122.20
119.90
119.90
117.00
108.20
119.90
118.90
121.90
119.90
109.90
121.90
132.30
128.60
122.70
119.90
108.20
108.20
117.00
117.00
117.00
117.00
118.90
119.90
108.20
117.00
118.90
119.90
117.00
122.20
111.50
120.30
117.00
117.00
118.90
108.20
128.60
122.70
119.90
119.90
132.30
132.30
121.90
Continued on next page...
Page 180
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
37
54
54
54
54
54
54
54
21
54
54
54
54
21
21
21
54
21
21
54
54
21
12
21
21
21
54
54
54
54
21
21
54
54
54
54
21
21
36
54
54
21
BO
BA
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
AA
AA
AA
BA
AA
AA
BA
BA
AA
AM
AA
AA
AA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
AA
AA
BN
BA
BA
AA
102
888
1625
2214
2329
22
350
2627
299
1193
814
1768
2391
792
1082
1284
445
531
818
1811
1815
1159
108
148
935
1038
660
2057
2105
2807
248
950
471
1298
2185
2318
306
381
46
456
1763
385
ARG
C
C
C
U
C
G
G
G
G
C
C
G
A
A
C
C
U
G
G
A
U
ARG
G
A
C
C
G
U
U
C
U
A
C
U
G
A
C
ARG
C
G
C
Atoms
NE-CZ-NH1
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
N1-C2-O2
C5-C6-N1
N3-C2-N2
N1-C6-O6
O4'-C4'-C3'
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N9
C1'-O4'-C4'
C6-C5-N7
N1-C2-O2
N3-C4-C5
N3-C2-O2
N1-C6-O6
O4'-C1'-N9
C6-C5-N7
C1'-O4'-C4'
NE-CZ-NH2
C5-C6-N1
C6-C5-N7
N3-C2-O2
O4'-C1'-N1
C5-C6-N1
O4'-C1'-N1
C5-C6-N1
N1-C2-O2
O4'-C1'-N1
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
N1-C6-O6
C6-C5-N7
N1-C2-O2
NE-CZ-NH1
N1-C2-O2
N3-C4-C5
O4'-C1'-N1
Z
5.25
5.25
5.25
5.25
-5.25
5.25
5.25
-5.25
-5.24
5.24
-5.24
5.24
5.24
-5.24
5.24
5.24
5.24
-5.24
-5.24
5.24
5.24
-5.23
-5.23
5.23
5.23
-5.23
5.23
5.23
5.23
-5.23
5.23
5.23
-5.23
-5.23
5.23
-5.23
5.23
5.23
5.23
5.23
-5.23
5.23
4V74
Observed( ) Ideal( )
o
122.92
112.40
122.05
112.40
118.53
122.05
114.12
116.23
116.75
110.30
118.23
112.39
112.39
105.71
135.97
122.04
124.00
118.53
116.76
112.39
135.97
105.71
117.68
114.12
135.96
118.24
112.39
114.12
112.39
120.08
122.04
112.39
114.39
118.24
112.38
116.76
135.96
122.04
122.92
122.04
125.98
112.38
o
120.30
108.20
118.90
108.20
122.20
118.90
111.50
119.90
119.90
106.10
121.90
108.20
108.20
109.90
132.30
118.90
121.90
122.20
119.90
108.20
132.30
109.90
120.30
111.50
132.30
121.90
108.20
111.50
108.20
122.70
118.90
108.20
117.00
121.90
108.20
119.90
132.30
118.90
120.30
118.90
128.60
108.20
Continued on next page...
Page 181
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
54
21
54
54
55
21
54
54
54
54
55
54
54
54
54
55
21
54
54
54
54
54
54
54
54
54
11
21
54
54
54
54
21
54
54
54
54
55
55
54
AA
AA
BA
AA
BA
BA
BB
AA
BA
BA
BA
BA
BB
BA
BA
BA
BA
BB
AA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AL
AA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BB
BB
BA
398
1250
1183
534
904
2575
118
651
1727
2013
2539
2807
27
367
849
1263
2219
83
482
935
2133
2551
681
1595
2418
2533
58
2599
86
47
421
1376
1713
2823
1395
331
2024
2102
2144
24
76
1451
U
A
U
U
G
C
C
C
C
A
C
U
C
G
A
U
U
G
A
C
G
C
G
C
A
U
G
G
VAL
C
C
C
A
A
C
C
G
G
G
G
G
C
Atoms
O4'-C1'-N1
C1'-O4'-C4'
O4'-C1'-N1
N3-C2-O2
N1-C6-O6
N3-C2-O2
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
N1-C6-N6
O4'-C1'-N1
O4'-C1'-N1
O4'-C1'-N1
N3-C4-C5
C6-C5-N7
N3-C2-O2
O4'-C1'-N1
N1-C6-O6
C4-C5-C6
O4'-C1'-N1
N1-C6-O6
N1-C2-O2
N3-C4-C5
O4'-C1'-N1
C6-C5-N7
O4'-C1'-N1
N1-C6-O6
N3-C4-C5
C-N-CA
N1-C2-O2
N1-C2-O2
N1-C2-O2
P-O3'-C3'
C4-C5-C6
N1-C2-O2
O4'-C1'-N1
O4'-C1'-N9
N1-C6-O6
C5-C6-N1
O4'-C1'-N9
N1-C6-O6
C2'-C3'-O3'
Z
5.23
-5.23
5.23
-5.23
-5.23
-5.23
5.23
5.22
-5.22
-5.22
5.22
5.22
5.22
-5.22
5.22
-5.22
5.22
-5.22
-5.22
5.22
-5.22
5.22
-5.22
5.22
5.22
5.22
-5.22
-5.22
5.22
5.22
5.22
5.22
5.22
-5.22
5.21
5.21
5.21
-5.21
5.21
5.21
-5.21
5.21
4V74
Observed( ) Ideal( )
o
112.38
105.72
112.38
118.54
116.76
118.24
112.38
122.03
118.24
115.47
112.38
112.38
112.38
125.99
135.96
118.54
112.38
116.77
114.39
112.38
116.77
122.03
125.99
112.38
135.95
112.38
116.77
125.99
134.74
122.03
122.03
122.03
125.96
114.39
122.03
112.37
112.37
116.77
114.11
112.37
116.77
122.04
o
108.20
109.90
108.20
122.20
119.90
121.90
108.20
118.90
121.90
118.60
108.20
108.20
108.20
128.60
132.30
122.20
108.20
119.90
117.00
108.20
119.90
118.90
128.60
108.20
132.30
108.20
119.90
128.60
121.70
118.90
118.90
118.90
119.70
117.00
118.90
108.20
108.20
119.90
111.50
108.20
119.90
113.70
Continued on next page...
Page 182
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
54
54
54
54
54
11
21
21
54
54
54
54
54
54
54
54
35
54
54
54
54
54
54
54
54
54
54
6
21
54
54
54
54
54
54
21
54
21
21
BA
BA
AA
BA
BA
BA
BA
BA
AL
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
BM
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AG
AA
BA
BA
BA
BA
BA
BA
AA
BA
AA
AA
1476
2864
405
529
530
898
2104
2716
109
246
505
1676
316
975
1572
1873
1881
1994
2092
38
435
736
855
885
919
1670
2213
1428
1694
2814
125
357
391
1454
1574
1997
2245
2652
1242
2697
342
610
U
G
U
A
G
C
C
C
ARG
A
G
A
C
A
A
G
C
C
U
ARG
C
C
G
C
U
C
U
C
C
A
ASP
G
A
C
C
C
U
C
G
G
C
U
Atoms
O4'-C1'-N1
N1-C6-O6
O4'-C1'-N1
C1'-O4'-C4'
O4'-C4'-C3'
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
NE-CZ-NH2
C4-C5-C6
C5'-C4'-O4'
C4-C5-C6
N3-C2-O2
C6-C5-N7
C4-C5-C6
N1-C6-O6
O4'-C1'-N1
O4'-C1'-N1
N3-C2-O2
NE-CZ-NH1
N1-C2-O2
N3-C2-O2
N1-C6-O6
O4'-C1'-N1
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
N1-C2-O2
N3-C4-N4
C6-C5-N7
CB-CG-OD2
O4'-C1'-N9
C4-C5-C6
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N1
O4'-C1'-N1
O4'-C1'-N1
N1-C6-O6
N1-C6-O6
N3-C2-O2
O4'-C1'-N1
Z
5.21
-5.21
5.21
-5.21
5.21
5.21
5.21
5.21
-5.21
-5.21
5.21
-5.21
-5.21
5.21
-5.21
-5.21
5.21
5.21
-5.21
5.21
5.21
-5.21
-5.21
5.21
5.21
5.21
-5.21
5.21
-5.21
5.21
5.20
5.20
-5.20
-5.20
5.20
5.20
5.20
5.20
-5.20
-5.20
-5.20
5.20
4V74
Observed( ) Ideal( )
o
112.37
116.77
112.37
105.73
110.27
122.03
112.37
122.03
117.69
114.39
115.35
114.39
118.25
135.95
114.39
116.77
112.37
112.37
118.55
122.90
122.02
118.26
116.78
112.36
112.37
122.02
118.56
122.02
114.36
135.94
122.98
112.36
114.40
118.26
112.36
112.36
112.36
112.36
116.78
116.78
118.26
112.36
o
108.20
119.90
108.20
109.90
106.10
118.90
108.20
118.90
120.30
117.00
109.10
117.00
121.90
132.30
117.00
119.90
108.20
108.20
122.20
120.30
118.90
121.90
119.90
108.20
108.20
118.90
122.20
118.90
118.00
132.30
118.30
108.20
117.00
121.90
108.20
108.20
108.20
108.20
119.90
119.90
121.90
108.20
Continued on next page...
Page 183
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
22
54
54
21
54
54
54
54
21
22
54
54
54
55
21
54
54
21
34
54
54
21
46
54
55
54
54
54
54
54
54
54
54
54
54
54
21
21
21
21
54
54
A1
BA
BA
AA
BA
BA
BA
BA
AA
A1
BA
BA
BA
BB
AA
BA
BA
AA
BL
BA
BA
AA
BX
BA
BB
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
AA
AA
AA
BA
BA
31
452
2008
315
784
928
1305
2658
1059
10
15
692
49
24
1389
1059
1803
379
132
2752
2812
597
71
104
99
208
452
1473
1545
1564
1704
1600
1646
2114
2333
2657
237
680
1064
1379
129
564
C
G
C
A
G
A
C
C
C
G
G
C
A
G
C
G
A
C
ARG
C
G
G
ARG
A
A
C
G
G
A
C
C
C
C
A
A
A
G
C
G
G
C
C
Atoms
N1-C2-O2
C4'-C3'-C2'
N1-C2-O2
C6-C5-N7
C1'-O4'-C4'
C6-C5-N7
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
N1-C6-O6
O4'-C1'-N9
N1-C2-O2
C4-C5-C6
C3'-C2'-C1'
N1-C2-O2
N1-C6-O6
C4-C5-C6
N1-C2-O2
NH1-CZ-NH2
O4'-C1'-N1
C5'-C4'-C3'
N1-C6-O6
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
N3-C2-O2
N3-C4-C5
N1-C6-O6
C4-C5-C6
N1-C2-O2
N1-C2-O2
O4'-C1'-N1
N3-C4-C5
C4-C5-C6
C3'-C2'-C1'
C4-C5-C6
C8-N9-C4
O4'-C1'-N1
N3-C4-C5
N3-C2-N2
O4'-C1'-N1
N1-C2-O2
Z
5.20
-5.20
5.20
5.20
-5.20
5.20
5.20
5.20
5.19
-5.19
5.19
5.19
-5.19
5.19
5.19
-5.19
-5.19
5.19
-5.19
5.19
-5.19
-5.19
5.19
-5.19
-5.19
-5.19
-5.19
-5.19
-5.19
5.19
5.19
5.18
5.18
-5.18
5.18
-5.18
-5.18
5.18
-5.18
-5.18
5.18
5.18
4V74
Observed( ) Ideal( )
o
122.02
97.40
122.02
135.94
105.74
135.94
122.02
112.36
122.02
116.78
112.36
122.02
114.40
105.65
122.01
116.79
114.40
122.01
113.69
112.35
107.70
116.79
122.89
114.41
114.41
118.27
126.01
116.79
114.41
122.01
122.01
112.35
123.97
114.41
105.65
114.41
104.33
112.34
126.01
116.27
112.35
122.01
o
118.90
102.60
118.90
132.30
109.90
132.30
118.90
108.20
118.90
119.90
108.20
118.90
117.00
101.50
118.90
119.90
117.00
118.90
119.40
108.20
116.00
119.90
120.30
117.00
117.00
121.90
128.60
119.90
117.00
118.90
118.90
108.20
121.90
117.00
101.50
117.00
106.40
108.20
128.60
119.90
108.20
118.90
Continued on next page...
Page 184
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
26
54
54
54
24
54
54
21
54
54
54
54
54
21
54
54
54
54
21
21
54
54
54
54
14
21
21
21
21
54
54
21
54
54
55
21
21
21
21
BA
BA
AA
BD
BA
BA
BA
A3
BA
BA
AA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
AO
AA
AA
AA
AA
BA
BA
AA
BA
BA
BB
AA
AA
AA
AA
793
2696
1217
15
114
882
959
3
1675
2809
1066
100
191
196
2040
2331
916
624
644
722
2378
634
1487
349
2015
2055
2362
71
722
475
953
974
1350
67
187
1732
1769
42
123
182
1042
1332
A
U
C
PHE
U
G
A
C
C
A
C
U
A
A
G
G
U
C
A
A
A
C
G
U
A
C
C
ARG
G
C
G
A
C
U
G
C
U
C
U
A
A
A
Atoms
C4-C5-C6
O4'-C1'-N1
N3-C4-C5
CB-CG-CD2
N3-C2-O2
N1-C6-O6
C4'-C3'-C2'
N1-C2-O2
O4'-C1'-N1
C4-C5-C6
N1-C2-O2
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
N9-C4-C5
O4'-C1'-N9
O4'-C1'-N1
N1-C2-O2
C4-C5-C6
N1-C6-N6
C4-C5-C6
N1-C2-O2
N3-C2-N2
O4'-C1'-N1
C4-C5-C6
O4'-C1'-N1
C4'-C3'-C2'
NE-CZ-NH2
N1-C6-O6
O4'-C1'-N1
N1-C6-O6
C4-C5-C6
N1-C2-O2
O4'-C1'-N1
C5-C6-N1
N1-C2-O2
C4'-C3'-C2'
N1-C2-O2
C3'-C2'-C1'
C4-C5-C6
C6-C5-N7
N1-C6-N6
Z
-5.18
5.18
5.18
5.18
-5.18
-5.18
-5.18
5.18
5.18
-5.18
5.18
5.18
-5.18
-5.18
5.18
5.18
5.18
5.18
-5.18
-5.18
-5.18
5.17
-5.17
5.17
-5.17
5.17
-5.17
-5.17
-5.17
5.17
-5.17
-5.17
5.17
5.17
5.17
5.17
-5.17
5.17
5.17
-5.17
5.17
-5.17
4V74
Observed( ) Ideal( )
o
114.41
112.35
123.97
124.43
118.57
116.79
97.42
122.01
112.34
114.41
122.01
112.34
114.41
114.41
107.47
112.34
112.34
122.01
114.41
115.49
114.41
122.00
116.28
112.34
114.41
112.34
97.42
117.71
116.80
112.34
116.80
114.41
122.00
112.34
114.08
122.00
97.43
122.00
105.63
114.42
135.92
115.50
o
117.00
108.20
121.90
120.80
122.20
119.90
102.60
118.90
108.20
117.00
118.90
108.20
117.00
117.00
105.40
108.20
108.20
118.90
117.00
118.60
117.00
118.90
119.90
108.20
117.00
108.20
102.60
120.30
119.90
108.20
119.90
117.00
118.90
108.20
111.50
118.90
102.60
118.90
101.50
117.00
132.30
118.60
Continued on next page...
Page 185
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
55
21
21
54
54
54
54
54
54
54
54
23
54
8
54
54
54
54
54
54
54
21
51
54
54
54
54
54
54
54
54
3
54
54
20
21
21
21
54
BA
BA
BA
BB
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
A2
BA
AI
BA
BA
BA
BA
BA
BA
BA
AA
B2
BA
BA
BA
BA
BA
BA
BA
BA
AD
BA
BA
AU
AA
AA
AA
BA
2025
2137
2570
12
733
1100
101
1463
1626
2384
2643
2661
2808
490
92
2585
11
10
43
1680
1749
2873
297
1893
1147
19
211
297
514
1079
1229
2428
289
587
103
1605
2199
30
250
1328
1399
1018
C
U
G
C
G
C
A
C
A
U
G
G
G
C
U
U
ARG
A
G
U
A
A
G
C
C
ARG
C
G
A
C
C
G
G
C
ARG
C
A
GLU
A
C
C
U
Atoms
N1-C2-O2
N3-C2-O2
N3-C2-N2
O4'-C1'-N1
N1-C6-O6
N1-C2-O2
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C5'-C4'-C3'
O4'-C1'-N9
N1-C6-O6
C1'-O4'-C4'
N3-C4-C5
N3-C2-O2
N3-C2-O2
CD-NE-CZ
O4'-C1'-N9
N3-C2-N2
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
C5'-C4'-C3'
N1-C2-O2
N3-C2-O2
NE-CZ-NH1
O4'-C1'-N1
O4'-C1'-N9
C4-C5-C6
O4'-C1'-N1
N3-C2-O2
N1-C6-O6
N1-C6-O6
N1-C2-O2
NE-CZ-NH2
N1-C2-O2
O4'-C1'-N9
CA-C-N
C2-N3-C4
N3-C2-O2
N1-C2-O2
O4'-C1'-N1
Z
5.17
-5.17
-5.17
5.17
-5.17
5.17
-5.16
5.16
-5.16
-5.16
5.16
-5.16
-5.16
5.16
-5.16
-5.16
5.16
5.16
-5.16
5.16
-5.16
-5.16
-5.16
5.16
-5.16
5.16
5.16
5.16
-5.16
5.16
-5.16
-5.16
-5.15
5.15
-5.15
5.15
5.15
5.15
5.15
-5.15
5.15
5.15
4V74
Observed( ) Ideal( )
o
122.00
118.58
116.28
112.33
116.80
122.00
114.42
112.33
114.42
107.74
112.33
116.80
105.77
123.97
118.59
118.59
130.82
112.33
116.29
112.33
114.42
114.42
107.75
121.99
118.29
122.88
112.32
112.32
114.42
112.32
118.29
116.81
116.81
121.99
117.72
121.99
112.32
128.53
113.17
118.30
121.99
112.32
o
118.90
122.20
119.90
108.20
119.90
118.90
117.00
108.20
117.00
116.00
108.20
119.90
109.90
121.90
122.20
122.20
123.60
108.20
119.90
108.20
117.00
117.00
116.00
118.90
121.90
120.30
108.20
108.20
117.00
108.20
121.90
119.90
119.90
118.90
120.30
118.90
108.20
117.20
110.60
121.90
118.90
108.20
Continued on next page...
Page 186
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
54
54
21
21
54
54
54
54
54
21
21
54
46
54
54
54
54
54
54
55
6
21
54
54
54
54
54
55
21
21
21
54
54
54
54
21
21
54
54
54
AA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
AA
AA
BA
BX
BA
BA
BA
BA
BA
BA
BB
AG
AA
BA
BA
BA
BA
BA
BB
AA
AA
AA
BA
BA
BA
BA
AA
AA
BA
BA
BA
1051
69
834
2148
749
1214
95
1576
1579
1668
2456
584
1233
70
73
394
1233
1411
1461
2462
2619
87
4
126
242
1639
2041
32
250
3
86
163
284
687
2298
2608
2888
275
1314
1078
1666
1962
C
C
G
G
A
C
A
U
A
A
C
G
G
G
ARG
C
C
U
C
C
C
U
ARG
G
G
C
U
C
G
C
G
C
C
C
A
G
C
G
C
U
G
C
Atoms
N1-C2-O2
N1-C2-O2
N7-C8-N9
N3-C2-N2
C6-C5-N7
O4'-C1'-N1
O4'-C1'-N9
O4'-C1'-N1
N1-C6-N6
C6-C5-N7
C5'-C4'-O4'
C5-C6-N1
N1-C6-O6
C5-C6-N1
NE-CZ-NH1
N1-C2-O2
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
C5'-C4'-O4'
C-N-CA
N1-C6-O6
O4'-C1'-N9
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
N3-C2-N2
N3-C2-O2
O4'-C1'-N9
P-O3'-C3'
N3-C2-O2
C4'-C3'-C2'
C4-C5-C6
C5-C6-N1
N1-C2-O2
N3-C2-N2
N1-C2-O2
O4'-C4'-C3'
N1-C6-O6
N1-C2-O2
Z
5.15
5.15
5.15
-5.15
5.15
5.15
5.15
5.15
-5.15
5.15
5.15
5.15
-5.15
5.15
5.14
5.14
5.14
5.14
5.14
5.14
-5.14
5.14
5.14
-5.14
5.14
5.14
5.14
5.14
-5.14
-5.14
5.14
5.14
-5.14
-5.14
-5.14
5.14
5.14
-5.14
5.14
5.14
-5.14
5.14
4V74
Observed( ) Ideal( )
o
121.99
121.99
115.67
116.30
135.90
112.32
112.32
112.32
115.51
135.90
115.28
114.07
116.81
114.07
122.87
121.99
121.99
112.32
121.99
112.31
118.30
115.27
134.56
116.81
112.31
121.99
112.31
121.98
116.30
118.30
112.31
125.87
118.30
97.46
114.43
114.07
121.98
116.30
121.98
110.21
116.82
121.98
o
118.90
118.90
113.10
119.90
132.30
108.20
108.20
108.20
118.60
132.30
109.10
111.50
119.90
111.50
120.30
118.90
118.90
108.20
118.90
108.20
121.90
109.10
121.70
119.90
108.20
118.90
108.20
118.90
119.90
121.90
108.20
119.70
121.90
102.60
117.00
111.50
118.90
119.90
118.90
106.10
119.90
118.90
Continued on next page...
Page 187
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
8
54
54
54
54
55
21
21
21
54
54
54
54
54
54
21
21
54
54
54
54
54
54
21
21
54
54
54
54
21
54
54
21
21
29
54
54
55
4
BA
BA
AA
AI
BA
BA
BA
BA
BB
AA
AA
AA
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
AA
AA
BA
BA
BA
BA
AA
BA
BA
AA
AA
BG
BA
BA
BB
AE
2618
2649
881
48
155
165
2052
2572
55
453
631
1380
53
105
530
1921
2186
2542
13
510
530
595
1005
1624
1874
2883
1191
1254
1006
1357
1884
2207
657
1666
2581
394
1360
162
590
1805
114
104
G
C
G
ARG
A
A
A
A
U
G
C
U
A
C
G
G
G
A
U
A
G
C
C
U
C
A
A
A
C
C
G
C
U
G
G
G
A
ARG
A
A
C
ILE
Atoms
N1-C6-O6
N1-C2-O2
N3-C2-N2
NE-CZ-NH2
C4-C5-C6
C4-C5-C6
C6-C5-N7
C4-C5-C6
O4'-C1'-N1
C5-C6-N1
N1-C2-O2
C5'-C4'-C3'
C6-C5-N7
N1-C2-O2
N1-C6-O6
N1-C6-O6
N1-C6-O6
C4-C5-C6
N3-C2-O2
C6-C5-N7
N3-C4-C5
N1-C2-O2
N1-C2-O2
C5'-C4'-O4'
N1-C2-O2
C1'-O4'-C4'
C4-C5-C6
C6-C5-N7
C5'-C4'-O4'
N3-C2-O2
N1-C6-O6
N1-C2-O2
C5'-C4'-O4'
O4'-C1'-N9
N3-C4-C5
N3-C2-N2
C6-C5-N7
NE-CZ-NH1
C4-C5-C6
C4-C5-C6
N3-C2-O2
C-N-CA
Z
-5.14
5.14
-5.14
-5.13
-5.13
-5.13
5.13
-5.13
5.13
5.13
5.13
-5.13
5.13
5.13
-5.13
-5.13
-5.13
-5.13
-5.13
5.13
-5.13
5.13
5.13
5.13
5.13
-5.13
-5.13
5.13
5.13
-5.13
-5.13
5.13
5.13
5.13
-5.13
-5.12
5.12
5.12
-5.12
-5.12
-5.12
5.12
4V74
Observed( ) Ideal( )
o
116.82
121.98
116.30
117.73
114.43
114.43
135.89
114.43
112.31
114.07
121.98
107.79
135.89
121.98
116.82
116.82
116.82
114.44
118.61
135.89
126.03
121.98
121.98
115.26
121.98
105.80
114.44
135.89
115.25
118.31
116.82
121.98
115.25
112.30
126.04
116.31
135.89
122.86
114.44
114.44
118.31
134.50
o
119.90
118.90
119.90
120.30
117.00
117.00
132.30
117.00
108.20
111.50
118.90
116.00
132.30
118.90
119.90
119.90
119.90
117.00
122.20
132.30
128.60
118.90
118.90
109.10
118.90
109.90
117.00
132.30
109.10
121.90
119.90
118.90
109.10
108.20
128.60
119.90
132.30
120.30
117.00
117.00
121.90
121.70
Continued on next page...
Page 188
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
22
54
54
21
21
54
54
54
21
21
21
21
22
42
54
54
54
54
54
54
21
54
54
54
54
54
54
21
54
21
54
21
21
21
54
54
21
21
54
54
54
AA
A1
BA
BA
AA
AA
BA
BA
BA
AA
AA
AA
AA
A1
BT
BA
BA
BA
BA
BA
BA
AA
BA
BA
BA
BA
BA
BA
AA
BA
AA
BA
AA
AA
AA
BA
BA
AA
AA
BA
BA
BA
350
66
1115
2603
50
292
1724
1781
2805
338
669
1362
1364
3
3
540
744
1950
1997
2406
2845
861
144
758
810
1219
2115
2593
428
1926
1459
858
883
988
1473
164
2062
1239
1406
686
955
1861
G
A
G
G
A
G
G
U
C
A
G
A
U
G
ARG
C
U
G
C
A
U
G
A
C
U
U
G
U
G
U
G
G
C
G
G
C
A
A
U
U
U
G
Atoms
N1-C6-O6
C6-C5-N7
N1-C6-O6
N3-C4-C5
C4-C5-C6
N1-C6-O6
N1-C6-O6
O4'-C1'-N1
O4'-C1'-N1
C6-C5-N7
O4'-C1'-N9
O4'-C1'-N9
N3-C2-O2
N1-C6-O6
NE-CZ-NH2
C4'-C3'-C2'
N3-C2-O2
C5-C6-N1
N3-C2-O2
C4-C5-C6
C5-C6-N1
N1-C6-O6
C6-C5-N7
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N1
C8-N9-C4
O4'-C1'-N1
N3-C2-N2
N3-C2-O2
C5-C6-N1
N3-C4-C5
N3-C4-N4
C8-N9-C4
N1-C6-O6
O4'-C1'-N1
O4'-C1'-N9
C6-C5-N7
C1'-O4'-C4'
O4'-C1'-N1
C1'-O4'-C4'
C4'-C3'-C2'
Z
-5.12
5.12
-5.12
-5.12
-5.12
-5.12
-5.12
5.12
5.12
5.12
5.12
5.12
-5.12
-5.12
-5.12
-5.12
-5.12
5.12
-5.12
-5.12
-5.12
-5.12
5.12
5.12
-5.12
5.12
-5.12
5.12
-5.11
-5.11
5.11
-5.11
-5.11
-5.11
-5.11
5.11
5.11
5.11
-5.11
5.11
-5.11
-5.11
4V74
Observed( ) Ideal( )
o
116.83
135.89
116.83
126.04
114.44
116.83
116.83
112.30
112.30
135.88
112.30
112.29
118.62
116.83
117.74
97.48
118.62
114.06
118.32
114.44
120.14
116.83
135.88
112.29
118.62
112.29
104.35
112.29
116.32
118.62
114.06
126.04
114.42
104.36
116.83
112.29
112.29
135.88
105.81
112.29
105.81
97.49
o
119.90
132.30
119.90
128.60
117.00
119.90
119.90
108.20
108.20
132.30
108.20
108.20
122.20
119.90
120.30
102.60
122.20
111.50
121.90
117.00
122.70
119.90
132.30
108.20
122.20
108.20
106.40
108.20
119.90
122.20
111.50
128.60
118.00
106.40
119.90
108.20
108.20
132.30
109.90
108.20
109.90
102.60
Continued on next page...
Page 189
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
22
54
54
54
54
54
3
15
21
21
54
54
54
54
54
54
21
21
21
21
21
21
21
38
54
54
21
21
54
54
54
25
54
54
21
21
21
54
54
BA
AA
AA
A1
BA
BA
BA
BA
BA
AD
AP
AA
AA
BA
BA
BA
BA
BA
BA
AA
AA
AA
AA
AA
AA
AA
BP
BA
BA
AA
AA
BA
BA
BA
BC
BA
BA
AA
AA
AA
BA
BA
2238
730
1300
9
1407
1715
732
828
1480
183
79
605
1108
903
927
1313
1388
1861
2004
1474
201
251
370
485
764
872
87
168
2795
310
1465
143
2317
2764
47
44
2748
25
271
799
1856
2855
G
G
G
A
G
G
C
U
C
ARG
ASN
U
G
C
A
U
G
G
G
U
G
G
C
U
C
A
ARG
G
C
G
A
C
A
A
ARG
A
A
C
C
G
U
C
Atoms
N3-C4-C5
N1-C6-O6
C5-C6-N1
C4-C5-C6
N1-C6-O6
C5-C6-N1
O4'-C1'-N1
N3-C2-O2
O4'-C1'-N1
NH1-CZ-NH2
C-N-CA
C5-C6-N1
C5-C6-N1
N1-C2-O2
C6-C5-N7
C3'-C2'-C1'
N1-C6-O6
O4'-C1'-N9
N1-C6-O6
N3-C2-O2
N3-C2-N2
C3'-C2'-C1'
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
C4-C5-C6
NE-CZ-NH1
O4'-C1'-N9
N1-C2-O2
N1-C6-O6
C4-C5-C6
O4'-C1'-N1
C4-C5-C6
C4-C5-C6
NH1-CZ-NH2
O4'-C1'-N9
C6-C5-N7
N1-C2-O2
C3'-C2'-C1'
N1-C6-O6
N3-C2-O2
N3-C2-O2
Z
-5.11
-5.11
5.11
-5.11
-5.11
5.11
5.10
-5.10
5.10
-5.10
5.10
-5.10
5.10
5.10
5.10
5.10
-5.10
5.10
-5.10
-5.10
-5.10
5.10
5.10
5.10
5.10
-5.10
5.10
5.10
5.10
-5.10
-5.10
5.10
-5.10
-5.10
-5.10
5.10
5.10
5.09
5.09
-5.09
-5.09
-5.09
4V74
Observed( ) Ideal( )
o
126.05
116.84
114.05
114.45
116.84
114.05
112.28
118.63
112.28
113.79
134.46
120.15
114.05
121.96
135.87
105.58
116.84
112.28
116.84
118.63
116.33
105.58
121.96
112.28
121.96
114.45
122.85
112.28
121.96
116.84
114.45
112.28
114.45
114.45
113.79
112.28
135.87
121.96
105.58
116.84
118.63
118.33
o
128.60
119.90
111.50
117.00
119.90
111.50
108.20
122.20
108.20
119.40
121.70
122.70
111.50
118.90
132.30
101.50
119.90
108.20
119.90
122.20
119.90
101.50
118.90
108.20
118.90
117.00
120.30
108.20
118.90
119.90
117.00
108.20
117.00
117.00
119.40
108.20
132.30
118.90
101.50
119.90
122.20
121.90
Continued on next page...
Page 190
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
21
54
54
54
54
54
54
54
54
10
54
54
54
55
33
54
54
54
55
21
54
54
54
54
54
54
54
13
38
54
54
54
54
54
54
54
54
54
54
BA
BA
AA
AA
BA
BA
BA
BA
BA
BA
BA
BA
AK
BA
BA
BA
BB
BK
BA
BA
BA
BB
AA
BA
BA
BA
BA
BA
BA
BA
AN
BP
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
1331
1695
46
220
1787
2000
2558
747
796
803
2239
2683
92
1606
2072
2594
8
17
816
1852
1879
28
553
1339
2305
242
1195
1599
2063
2858
81
71
633
679
771
1123
2466
1833
239
301
1050
2355
G
G
G
G
A
C
C
U
C
U
G
C
ARG
C
C
C
C
ARG
C
U
C
C
A
G
U
G
G
U
C
C
ARG
ARG
A
C
G
C
C
C
C
G
A
G
Atoms
N1-C6-O6
C3'-C2'-C1'
N3-C2-N2
N1-C6-O6
C4-C5-C6
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
N1-C2-N3
C5-C6-N1
O4'-C1'-N1
NE-CZ-NH2
N3-C4-C5
O4'-C1'-N1
N1-C2-O2
N1-C2-O2
NE-CZ-NH1
N1-C2-O2
O4'-C1'-N1
N1-C2-O2
O4'-C1'-N1
C4-C5-C6
N3-C2-N2
N3-C2-O2
N1-C6-O6
N7-C8-N9
O4'-C1'-N1
N3-C4-C5
N1-C2-O2
NE-CZ-NH2
NE-CZ-NH1
O4'-C1'-N9
O4'-C1'-N1
O4'-C1'-N9
N1-C2-O2
N3-C4-N4
O4'-C1'-N1
O4'-C1'-N1
N1-C6-O6
O4'-C1'-N9
C5'-C4'-O4'
Z
-5.09
5.09
-5.09
-5.09
-5.09
5.09
5.09
5.09
5.09
5.09
5.09
5.09
-5.09
5.09
5.09
5.09
5.09
5.09
5.09
5.09
5.09
5.09
-5.08
-5.08
-5.08
-5.08
5.08
5.08
5.08
5.08
-5.08
5.08
5.08
5.08
5.08
5.08
-5.08
5.08
5.08
-5.08
5.08
5.08
4V74
Observed( ) Ideal( )
o
116.84
105.57
116.34
116.84
114.45
112.27
121.95
112.27
121.95
117.95
114.05
112.27
117.76
123.94
112.27
121.95
121.95
122.84
121.95
112.27
121.95
112.27
114.46
116.34
118.64
116.85
115.64
112.27
123.93
121.95
117.76
122.84
112.26
112.27
112.26
121.95
114.44
112.26
112.26
116.85
112.26
115.19
o
119.90
101.50
119.90
119.90
117.00
108.20
118.90
108.20
118.90
114.90
111.50
108.20
120.30
121.90
108.20
118.90
118.90
120.30
118.90
108.20
118.90
108.20
117.00
119.90
122.20
119.90
113.10
108.20
121.90
118.90
120.30
120.30
108.20
108.20
108.20
118.90
118.00
108.20
108.20
119.90
108.20
109.10
Continued on next page...
Page 191
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
54
17
21
21
21
54
4
21
54
54
54
54
54
54
54
55
21
54
21
21
54
54
54
54
54
21
54
54
21
42
54
54
54
54
54
54
54
54
54
21
BA
BA
BA
AR
AA
AA
AA
BA
AE
AA
BA
BA
BA
BA
BA
BA
BA
BB
AA
BA
AA
AA
BA
BA
BA
BA
BA
AA
BA
BA
AA
BT
BA
BA
BA
BA
BA
BA
BA
BA
BA
AA
525
1901
1909
60
290
1057
1223
1230
137
744
531
1096
1120
1985
2199
2570
2819
94
711
2405
349
1303
974
1483
2506
672
1340
124
269
2063
1426
76
181
678
865
939
2197
2622
2845
2022
2736
131
U
A
C
ARG
C
G
C
A
ARG
C
C
A
G
C
A
G
G
A
G
G
A
C
G
G
U
C
U
C
C
C
G
ARG
A
C
C
G
U
U
U
U
A
A
Atoms
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
NE-CZ-NH1
N3-C2-O2
N1-C6-O6
N3-C4-C5
C6-C5-N7
NE-CZ-NH1
O4'-C1'-N1
N1-C2-O2
C4-C5-C6
C5-C6-N1
N1-C2-O2
C6-C5-N7
O4'-C1'-N9
C8-N9-C4
C6-C5-N7
N1-C6-O6
C5-C6-N1
C6-C5-N7
N1-C2-O2
N3-C2-N2
N1-C6-O6
N3-C2-O2
O4'-C1'-N1
P-O3'-C3'
N1-C2-O2
N1-C2-O2
O4'-C1'-N1
N3-C2-N2
NE-CZ-NH1
C6-C5-N7
N1-C2-O2
N3-C4-C5
C5-C6-N1
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N1
N3-C2-O2
C4-C5-C6
C6-C5-N7
Z
-5.08
-5.08
5.08
5.08
-5.08
-5.08
5.08
5.08
5.07
5.07
5.07
-5.07
5.07
5.07
5.07
5.07
-5.07
5.07
-5.07
5.07
5.07
5.07
-5.07
-5.07
-5.07
5.07
5.07
5.07
5.07
5.07
-5.07
5.07
5.07
5.07
5.07
5.07
-5.07
5.07
5.06
-5.06
-5.06
5.06
4V74
Observed( ) Ideal( )
o
118.65
114.46
112.26
122.84
118.35
116.85
123.93
135.85
122.84
112.26
121.94
114.46
114.04
121.94
135.85
112.26
104.37
135.85
116.86
114.04
135.85
121.94
116.35
116.86
118.65
112.25
125.78
121.94
121.94
112.25
116.35
122.83
135.84
121.94
123.93
114.03
118.65
112.25
112.25
118.66
114.47
135.84
o
122.20
117.00
108.20
120.30
121.90
119.90
121.90
132.30
120.30
108.20
118.90
117.00
111.50
118.90
132.30
108.20
106.40
132.30
119.90
111.50
132.30
118.90
119.90
119.90
122.20
108.20
119.70
118.90
118.90
108.20
119.90
120.30
132.30
118.90
121.90
111.50
122.20
108.20
108.20
122.20
117.00
132.30
Continued on next page...
Page 192
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
21
54
54
54
21
21
21
21
54
54
54
55
21
21
45
54
21
21
24
54
54
54
21
21
21
54
54
21
21
54
54
55
21
54
54
54
54
54
54
54
21
AA
AA
BA
BA
BA
AA
AA
AA
AA
BA
BA
BA
BB
AA
AA
BW
BA
AA
AA
A3
BA
BA
BA
AA
AA
AA
BA
BA
AA
AA
BA
BA
BB
AA
BA
BA
BA
BA
BA
BA
BA
AA
468
593
1104
2236
2870
173
882
965
1378
179
1864
2499
70
1162
1512
19
1990
427
948
45
1227
2085
2282
281
493
1504
875
2372
200
545
364
2250
71
526
640
1140
2385
497
1892
2263
2759
1228
A
U
C
U
C
U
C
U
C
C
U
C
C
C
U
ARG
C
U
C
A
G
U
G
G
A
G
G
U
G
C
C
G
C
C
C
C
C
A
C
C
G
C
Atoms
C1'-O4'-C4'
O4'-C1'-N1
O4'-C1'-N1
O4'-C1'-N1
N1-C2-O2
C1'-O4'-C4'
O4'-C1'-N1
N3-C2-O2
N1-C2-O2
O4'-C1'-N1
N3-C2-O2
N3-C4-C5
C5'-C4'-O4'
N1-C2-O2
N3-C2-O2
NE-CZ-NH2
N1-C2-O2
N3-C2-O2
C5'-C4'-O4'
O4'-C1'-N9
C5-C6-N1
C5-C6-N1
N1-C6-O6
C3'-C2'-C1'
C2-N3-C4
N1-C6-O6
N1-C6-O6
C3'-C2'-C1'
N1-C6-O6
N1-C2-O2
O4'-C1'-N1
C5-C6-N1
O4'-C1'-N1
N1-C2-O2
N1-C2-O2
C5'-C4'-O4'
N1-C2-O2
C6-C5-N7
C6-N1-C2
N1-C2-O2
N1-C6-O6
O4'-C1'-N1
Z
-5.06
5.06
5.06
5.06
5.06
-5.06
5.06
-5.06
5.06
5.06
-5.06
5.06
5.06
5.06
-5.06
-5.06
5.06
-5.05
5.05
5.05
5.05
-5.05
-5.05
5.05
5.05
-5.05
-5.05
-5.05
-5.05
5.05
5.05
5.05
5.05
5.05
5.05
5.05
5.05
5.05
-5.05
5.05
-5.05
5.04
4V74
Observed( ) Ideal( )
o
105.85
112.25
112.25
112.25
121.94
105.85
112.25
118.66
121.94
112.25
118.66
123.92
115.17
121.93
118.66
117.77
121.93
118.66
115.17
112.24
114.03
120.17
116.87
105.54
113.13
116.87
116.87
97.46
116.87
121.93
112.24
114.03
112.24
121.93
121.93
115.16
121.93
135.83
118.28
121.93
116.87
112.24
o
109.90
108.20
108.20
108.20
118.90
109.90
108.20
122.20
118.90
108.20
122.20
121.90
109.10
118.90
122.20
120.30
118.90
122.20
109.10
108.20
111.50
122.70
119.90
101.50
110.60
119.90
119.90
101.50
119.90
118.90
108.20
111.50
108.20
118.90
118.90
109.10
118.90
132.30
120.30
118.90
119.90
108.20
Continued on next page...
Page 193
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
24
24
54
21
54
54
54
21
21
21
21
21
21
54
21
21
21
21
21
54
54
21
21
21
54
54
54
54
11
21
21
54
54
54
21
21
54
54
54
54
54
21
A3
A3
BA
AA
BA
BA
BA
AA
AA
AA
AA
AA
AA
BA
AA
AA
AA
AA
AA
BA
BA
AA
AA
AA
BA
BA
BA
BA
AL
AA
AA
BA
BA
BA
AA
AA
BA
BA
BA
BA
BA
AA
14
45
1133
278
197
988
2677
40
495
538
680
905
1362
1678
1231
1443
429
819
923
552
765
295
583
821
772
1455
1531
1643
94
814
1494
522
1366
646
927
1161
188
691
1992
2417
2739
217
A
A
A
G
A
A
G
C
A
G
C
U
A
A
G
C
U
A
A
U
C
C
A
G
C
G
C
G
TYR
A
G
A
A
U
G
C
G
C
G
C
U
C
Atoms
C4-C5-C6
C6-C5-N7
O4'-C1'-N9
N1-C6-O6
C6-C5-N7
C4-C5-C6
N1-C6-O6
N1-C2-O2
C4-C5-C6
N1-C6-O6
C1'-O4'-C4'
N3-C2-O2
C6-C5-N7
C6-C5-N7
N3-C2-N2
N1-C2-O2
O4'-C1'-N1
C6-C5-N7
C5'-C4'-C3'
O4'-C1'-N1
O4'-C1'-N1
N1-C2-O2
C6-C5-N7
N3-C4-C5
O4'-C1'-N1
N3-C4-C5
O4'-C1'-N1
O4'-C1'-N9
CB-CG-CD2
C6-C5-N7
N1-C6-O6
C6-C5-N7
C6-C5-N7
N1-C2-N3
C5'-C4'-O4'
O4'-C1'-N1
N1-C6-O6
N3-C2-O2
N3-C2-N2
O4'-C1'-N1
O4'-C1'-N1
N1-C2-O2
Z
-5.04
5.04
5.04
-5.04
5.04
-5.04
-5.04
5.04
-5.04
-5.04
-5.04
-5.04
5.04
5.04
-5.04
5.04
5.04
5.04
-5.04
5.04
5.04
5.04
5.04
-5.04
5.04
-5.04
5.04
5.04
-5.03
5.03
-5.03
5.03
5.03
5.03
5.03
5.03
-5.03
-5.03
-5.03
5.03
5.03
5.03
4V74
Observed( ) Ideal( )
o
114.48
135.83
112.24
116.87
135.83
114.48
116.87
121.92
114.48
116.88
105.87
118.67
135.83
135.83
116.37
121.92
112.23
135.83
107.94
112.23
112.23
121.92
135.82
126.08
112.23
126.08
112.23
112.23
117.98
135.82
116.88
135.82
135.82
117.92
115.14
112.22
116.88
118.38
116.38
112.22
112.22
121.92
o
117.00
132.30
108.20
119.90
132.30
117.00
119.90
118.90
117.00
119.90
109.90
122.20
132.30
132.30
119.90
118.90
108.20
132.30
116.00
108.20
108.20
118.90
132.30
128.60
108.20
128.60
108.20
108.20
121.00
132.30
119.90
132.30
132.30
114.90
109.10
108.20
119.90
121.90
119.90
108.20
108.20
118.90
Continued on next page...
Page 194
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
21
54
2
24
54
54
54
54
54
21
21
21
22
54
54
54
54
21
21
54
54
54
21
21
54
54
54
21
22
21
21
54
54
54
54
54
54
54
21
21
21
54
AA
BA
AC
A3
BA
BA
BA
BA
BA
AA
AA
AA
A1
BA
BA
BA
BA
AA
AA
BA
BA
BA
AA
AA
BA
BA
BA
AA
A1
AA
AA
BA
BA
BA
BA
BA
BA
BA
AA
AA
AA
BA
318
1880
106
10
211
374
773
1296
1404
5
213
858
43
461
1119
1352
2682
78
796
479
1274
1351
426
920
588
970
1209
35
17
68
658
1069
1191
1197
1585
1818
2226
2244
108
869
982
81
G
U
ARG
G
C
A
U
G
C
U
G
G
G
C
U
U
A
A
C
A
A
C
U
U
U
U
U
G
U
G
C
A
G
G
C
U
C
U
G
G
U
G
Atoms
N1-C6-O6
O4'-C1'-N1
NE-CZ-NH1
N1-C6-O6
N1-C2-O2
C4-C5-C6
C5-C6-N1
N3-C2-N2
N1-C2-O2
N3-C2-O2
O4'-C1'-N9
N1-C6-O6
C5-C6-N1
O4'-C1'-N1
O4'-C1'-N1
C5'-C4'-O4'
C6-C5-N7
C6-C5-N7
N1-C2-O2
C3'-C2'-C1'
C4-C5-C6
N3-C4-N4
C5-C6-N1
O4'-C1'-N1
O4'-C1'-N1
C5'-C4'-O4'
N3-C2-O2
O3'-P-O5'
O4'-C1'-N1
C5-C6-N1
N1-C2-O2
C6-C5-N7
N3-C4-C5
N1-C6-O6
N1-C2-O2
N3-C2-O2
O4'-C1'-N1
O4'-C1'-N1
N1-C6-O6
C5-C6-N1
N3-C2-O2
O4'-C1'-N9
Z
-5.03
5.03
5.03
-5.03
5.03
-5.03
-5.03
-5.03
5.03
-5.03
5.03
-5.03
5.03
5.03
5.03
5.03
5.03
5.02
5.02
-5.02
-5.02
-5.02
-5.02
5.02
5.02
5.02
-5.02
-5.02
5.02
5.02
5.02
5.02
-5.02
-5.02
5.02
-5.02
5.02
5.02
-5.02
5.02
-5.02
5.02
4V74
Observed( ) Ideal( )
o
116.88
112.22
122.81
116.88
121.92
114.49
120.19
116.38
121.92
118.68
112.22
116.89
114.01
112.22
112.22
115.13
135.82
135.82
121.92
97.48
114.49
114.48
120.19
112.22
112.22
115.13
118.68
94.46
112.22
114.01
121.91
135.81
126.09
116.89
121.91
118.69
112.22
112.22
116.89
114.01
118.69
112.21
o
119.90
108.20
120.30
119.90
118.90
117.00
122.70
119.90
118.90
122.20
108.20
119.90
111.50
108.20
108.20
109.10
132.30
132.30
118.90
101.50
117.00
118.00
122.70
108.20
108.20
109.10
122.20
104.00
108.20
111.50
118.90
132.30
128.60
119.90
118.90
122.20
108.20
108.20
119.90
111.50
122.20
108.20
Continued on next page...
Page 195
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
54
21
21
54
54
55
1
21
21
27
54
54
21
54
54
21
54
54
21
21
36
54
54
21
54
54
54
21
21
21
54
54
55
54
54
54
21
21
21
54
54
BA
BA
AA
AA
BA
BA
BB
AB
AA
AA
BE
BA
BA
AA
BA
BA
AA
BA
BA
AA
AA
BN
BA
BA
AA
BA
BA
BA
AA
AA
AA
BA
BA
BB
BA
BA
BA
AA
AA
AA
BA
BA
389
787
501
729
867
1305
2
112
637
800
162
398
1005
561
800
2365
1300
1068
1974
961
1405
63
1832
2902
567
840
1247
2018
122
149
802
639
2370
10
295
1307
2601
206
1168
1299
1357
1798
G
C
C
A
C
C
G
ARG
C
G
ARG
C
C
U
A
G
G
G
C
U
G
ARG
C
C
G
C
A
G
G
A
A
U
G
G
G
A
C
C
U
A
C
U
Atoms
P-O3'-C3'
N3-C4-N4
N3-C4-C5
C6-C5-N7
O4'-C1'-N1
N3-C4-C5
N3-C4-C5
CD-NE-CZ
N1-C2-O2
N1-C6-O6
NE-CZ-NH1
N1-C2-O2
C6-N1-C2
C5-C6-N1
C6-C5-N7
N1-C6-O6
C1'-O4'-C4'
N3-C4-C5
O4'-C1'-N1
N3-C2-O2
N1-C6-O6
NE-CZ-NH1
N1-C2-O2
O4'-C1'-N1
N1-C6-O6
N1-C2-O2
C4-C5-C6
N1-C6-O6
O4'-C1'-N9
C5-C6-N1
C4-C5-C6
C3'-C2'-C1'
N1-C6-O6
O4'-C1'-N9
O4'-C1'-N9
C4-C5-C6
O4'-C1'-N1
N1-C2-O2
N3-C2-O2
C4-C5-C6
O4'-C1'-N1
O4'-C1'-N1
Z
5.02
-5.02
5.02
5.02
5.02
5.02
-5.02
5.01
5.01
-5.01
5.01
5.01
-5.01
-5.01
5.01
-5.01
-5.01
-5.01
5.01
-5.01
-5.01
5.01
5.01
5.01
-5.01
5.01
-5.01
-5.01
5.01
5.01
-5.01
5.01
-5.01
5.01
5.00
-5.00
5.00
5.00
-5.00
-5.00
5.00
5.00
4V74
Observed( ) Ideal( )
o
125.72
114.49
123.91
135.81
112.21
123.91
126.09
130.62
121.91
116.89
122.81
121.91
118.29
120.19
135.81
116.89
105.89
126.09
112.21
118.69
116.89
122.81
121.91
112.21
116.89
121.91
114.50
116.89
112.20
120.20
114.50
105.50
116.90
112.21
112.20
114.50
112.20
121.90
118.70
114.50
112.20
112.20
o
119.70
118.00
121.90
132.30
108.20
121.90
128.60
123.60
118.90
119.90
120.30
118.90
120.30
122.70
132.30
119.90
109.90
128.60
108.20
122.20
119.90
120.30
118.90
108.20
119.90
118.90
117.00
119.90
108.20
117.70
117.00
101.50
119.90
108.20
108.20
117.00
108.20
118.90
122.20
117.00
108.20
108.20
Continued on next page...
Page 196
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
54
21
21
22
24
54
54
54
54
55
BA
AA
AA
A1
A3
BA
BA
BA
BA
BB
2525
224
1503
76
7
408
481
2115
2269
67
G
U
A
A
G
G
G
G
G
G
Atoms
N3-C2-N2
N3-C2-O2
C6-C5-N7
C8-N9-C4
O4'-C1'-N9
N1-C6-O6
C3'-C2'-C1'
N3-C4-C5
C5-C6-N1
N3-C4-C5
There are no chirality outliers.
All (1147) planarity outliers are listed below:
Mol Chain Res Type Group
22
22
22
22
22
22
22
22
22
22
22
22
22
22
22
22
22
22
22
22
22
23
23
23
23
24
24
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A2
A2
A2
A2
A3
A3
1
11
24
3
32
33
36
38
44
49
52
6
60
63
64
65
67
71
75
76
9
80
83
86
89
1
15
G
C
G
G
C
U
C
A
G
G
G
A
C
G
U
C
U
C
C
A
A
C
U
U
U
C
G
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Continued on next page...
Z
-5.00
-5.00
5.00
-5.00
5.00
-5.00
5.00
-5.00
5.00
-5.00
4V74
Observed( ) Ideal( )
o
116.40
118.70
135.80
103.80
112.20
116.90
105.50
126.10
114.00
126.10
o
119.90
122.20
132.30
105.80
108.20
119.90
101.50
128.60
111.50
128.60
Page 197
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type Group
24
24
24
24
24
24
24
24
24
24
24
24
24
24
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
A3
A3
A3
A3
A3
A3
A3
A3
A3
A3
A3
A3
A3
A3
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
17
2
28
32
35
38
42
50
61
7
71
74
75
76
100
1010
1013
1025
1028
1029
1038
1044
1046
1048
1053
1054
1066
1075
109
1093
1097
110
1108
111
1114
1116
1117
1118
1122
1127
1130
1131
C
G
U
G
C
A
C
G
U
G
G
A
C
C
G
U
G
U
C
U
C
A
A
G
G
C
C
U
A
A
C
C
G
G
C
U
A
U
U
G
A
G
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Continued on next page...
4V74
Page 198
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type Group
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
1132
1134
1137
1138
1139
114
1140
1142
1144
1149
1155
1162
1177
1178
1189
1193
1200
1206
1207
1211
1212
1213
1214
1216
1217
1218
122
1222
1225
1229
1237
1246
1249
1253
126
1260
1263
1267
1269
1273
1274
1278
C
G
C
G
G
U
C
G
G
C
A
C
G
G
U
G
C
G
G
U
U
A
C
A
C
C
G
G
A
A
C
A
C
G
G
G
C
C
A
C
A
G
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Continued on next page...
4V74
Page 199
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type Group
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
1299
1300
1302
1305
1312
1321
1324
1328
133
1330
1343
1346
1351
1356
1358
1360
1363
1366
1370
1372
1380
1381
1382
1385
1391
1392
1397
1398
14
1400
1401
1402
1407
1409
1413
1414
1415
1421
1424
1426
1435
1438
A
G
C
G
G
U
A
C
U
U
G
A
U
G
U
A
A
C
G
U
U
U
C
G
U
G
C
A
U
C
G
C
C
C
A
U
G
G
U
G
G
G
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Continued on next page...
4V74
Page 200
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type Group
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
144
1444
1451
1461
1468
1473
1474
1477
1482
1484
1487
15
1500
1502
1503
1505
1509
1511
1513
1515
1519
1526
1527
153
1530
1533
1534
159
161
162
164
167
17
172
173
186
187
190
198
200
207
208
G
U
U
G
A
G
U
U
G
C
G
G
A
A
A
G
C
G
A
G
A
G
U
C
G
C
A
G
A
A
G
A
U
A
U
C
G
A
G
G
C
U
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Continued on next page...
4V74
Page 201
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type Group
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
210
215
217
220
225
233
234
235
237
241
242
244
25
250
255
265
269
273
280
281
29
292
295
298
299
305
307
310
312
317
324
33
336
337
343
347
35
350
356
359
36
361
C
C
C
G
C
C
C
C
G
G
G
U
C
A
G
G
C
U
C
G
U
G
C
A
G
G
C
G
C
U
G
A
A
G
U
G
G
G
A
G
C
G
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Continued on next page...
4V74
Page 202
wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type Group
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
367
370
372
375
38
380
387
388
391
398
399
404
407
413
414
419
430
436
443
446
451
455
472
478
479
481
484
485
487
491
492
493
5
506
51
513
517
519
525
529
532
546
U
C
C
U
G
G
U
G
G
U
G
G
U
G
A
C
A
C
C
G
A
G
U
A
U
G
G
U
A
G
C
A
U
G
A
C
G
C
C
G
A
A
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Continued on next page...
4V74
Page 203
wwPDB EM Map/Model Validation Report
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Mol Chain Res Type Group
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
55
550
554
555
558
561
565
571
572
573
581
585
595
600
604
610
611
612
622
627
628
630
635
641
642
646
650
660
661
663
666
670
675
678
682
684
685
687
689
691
693
699
A
G
A
U
G
U
U
U
A
A
G
G
A
A
G
U
C
C
A
G
G
A
A
U
A
G
G
C
G
A
G
G
A
U
G
U
G
A
C
G
G
C
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
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21
21
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1
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54
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54
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54
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54
54
54
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54
54
54
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54
54
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54
54
54
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202
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54
54
54
54
54
54
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54
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Mol Chain Res Type Group
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
2411
2417
2418
2423
2424
2427
2433
244
2440
2444
2445
2446
2451
2453
2460
2462
2465
2469
2475
2476
2477
2478
248
2492
2495
2496
2497
2498
2499
250
2502
2504
2522
2529
2530
2534
254
2540
2548
2550
2552
2557
A
C
A
U
C
C
A
A
C
G
G
G
A
A
U
C
C
A
C
A
U
A
G
U
G
C
A
C
C
G
G
U
U
G
A
A
G
C
U
G
U
G
Sidechain
Sidechain
Sidechain
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Mol Chain Res Type Group
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
256
2560
2569
2571
2573
2576
2581
2582
2585
2586
2588
2589
2597
2598
2611
2615
2624
2625
2629
263
2631
2637
264
2646
2647
2657
2659
2661
2668
2680
2681
2683
269
2698
270
2700
2709
2722
2725
2726
2728
2732
A
A
G
U
C
G
G
G
U
U
G
A
G
A
C
U
G
G
U
G
G
U
C
C
U
A
G
G
G
U
C
C
C
U
A
A
G
G
A
A
U
G
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
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Mol Chain Res Type Group
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
2737
2738
2740
2741
2742
2745
2747
2748
2751
2756
276
2764
2767
277
2771
2776
278
2783
2786
2787
2789
2797
2801
2802
2808
2809
2810
2816
2817
2819
2820
2824
2827
2829
283
2832
2835
2840
2850
2852
2854
2857
G
A
A
A
G
C
G
A
G
U
U
A
C
G
C
A
A
U
U
C
C
U
G
G
G
A
A
G
U
G
A
C
C
A
G
U
A
C
A
G
G
G
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
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Mol Chain Res Type Group
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
2868
2872
2875
2883
2884
2885
2887
2889
289
2892
2897
291
297
3
303
305
307
308
31
311
313
314
317
322
323
329
33
333
356
358
359
361
363
364
365
371
373
374
376
377
379
384
A
A
C
A
U
G
A
C
G
G
U
G
G
U
G
C
G
G
C
A
G
C
G
A
C
G
C
G
G
U
G
G
G
C
U
A
U
A
G
G
G
A
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
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Sidechain
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Sidechain
Sidechain
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Mol Chain Res Type Group
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
386
39
390
394
395
40
401
402
403
405
409
418
420
423
428
43
436
439
44
440
446
449
451
452
454
458
460
463
473
476
479
48
481
484
485
491
492
493
495
496
500
517
G
G
U
C
U
U
A
A
U
U
G
C
C
A
A
G
C
A
A
C
G
A
U
G
A
G
A
G
G
G
A
G
G
C
C
G
A
G
G
G
G
C
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
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Sidechain
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Mol Chain Res Type Group
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
521
523
524
525
526
527
528
530
551
561
568
571
572
578
579
580
582
583
587
588
590
593
606
611
614
616
617
621
630
632
633
635
636
641
645
650
652
655
656
657
669
670
U
C
G
U
A
C
A
G
G
G
U
U
A
G
G
U
A
G
C
U
A
U
U
C
A
A
G
A
G
A
A
C
G
U
C
C
U
A
G
U
G
A
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
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Mol Chain Res Type Group
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
687
690
695
700
706
707
709
718
72
724
726
727
736
738
739
74
749
75
750
754
76
761
763
765
770
772
773
775
788
790
800
808
816
829
830
835
840
841
845
846
848
850
C
G
G
G
A
G
U
A
U
U
G
A
C
G
A
A
A
G
A
U
C
A
G
C
G
C
U
G
A
U
A
G
C
A
G
C
C
G
A
U
C
U
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
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Mol Chain Res Type Group
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
851
852
855
857
859
862
864
865
869
870
875
881
882
899
905
906
907
908
912
914
92
921
922
925
926
930
932
933
934
942
954
958
960
961
962
963
969
971
979
984
986
993
C
U
G
G
G
G
G
C
G
U
G
G
G
A
A
U
G
C
C
G
U
C
C
A
G
G
U
A
U
G
G
U
A
C
G
U
G
G
A
A
C
G
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
Sidechain
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Mol Chain Res Type Group
54
54
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
55
43
5.2
BA
BA
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BU
995
998
10
105
108
114
13
23
24
29
37
39
4
40
41
42
48
49
52
64
65
72
75
76
84
9
93
6
C
C
G
G
A
C
G
G
G
A
C
A
C
U
G
C
U
C
A
G
U
G
G
G
G
G
C
ARG
Too-close contacts
Sidechain
Sidechain
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Sidechain
O
i
In the following table, the Non-H and H(model) columns list the number of non-hydrogen atoms
and hydrogen atoms in the chain respectively. The H(added) column lists the number of hydrogen
atoms added and optimized by MolProbity. The Clashes column lists the number of clashes within
the asymmetric unit, whereas Symm-Clashes lists symmetry related clashes.
Mol Chain Non-H H(model) H(added) Clashes Symm-Clashes
1
2
3
4
5
AB
AC
AD
AE
AF
1708
1625
1643
1109
818
0
0
0
0
0
1736
1699
1710
1152
808
0
0
0
1
0
0
0
0
0
0
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Mol Chain Non-H H(model) H(added) Clashes Symm-Clashes
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
AG
AH
AI
AJ
AK
AL
AM
AN
AO
AP
AQ
AR
AS
AT
AU
AA
A1
A2
A3
BC
BD
BE
BF
BG
BH
BI
BJ
BK
BL
BM
BN
BO
BP
BQ
BR
BS
BT
BU
BV
BW
BX
BY
1178
979
1025
790
880
955
877
805
714
639
652
459
641
668
429
32828
1627
309
1642
2083
1565
1552
1420
1323
1111
1032
1129
939
1045
1074
961
892
917
947
816
857
739
780
753
599
625
509
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1234
1034
1074
832
891
1019
937
844
737
656
695
482
669
718
453
16520
832
158
843
2157
1616
1619
1460
1374
1148
1088
1162
1012
1117
1157
1000
923
965
1022
839
922
807
834
780
614
655
543
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
3
0
1
0
0
0
0
0
0
0
0
0
3
1
2
0
1
1
0
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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Mol Chain Non-H H(model) H(added) Clashes Symm-Clashes
48
49
50
51
52
53
54
55
56
57
58
All
BZ
B0
B1
B2
B3
B4
BA
BB
B5
A1
BA
All
449
444
413
377
504
302
62317
2504
1658
7
10
147653
0
0
0
0
0
0
0
0
0
0
0
0
491
461
444
418
574
343
31341
1271
1751
8
10
99659
0
0
0
0
0
0
4
0
0
0
0
17
0
0
0
0
0
0
0
0
0
0
0
0
The all-atom clashscore is dened as the number of clashes found per 1000 atoms (including
hydrogen atoms). The all-atom clashscore for this structure is 0.
All (17) close contacts within the same asymmetric unit are listed below, sorted by their clash
magnitude.
Atom-1
Atom-2
34:BL:30:THR:HG21
34:BL:36:LYS:H
54:BA:388:G:H2'
54:BA:389:G:H3'
42:BT:15:HIS:CG
42:BT:16:VAL:H
21:AA:1054:C:C6
23:A2:89:U:H1'
37:BO:53:THR:HG21 37:BO:70:ALA:HB1
38:BP:95:LYS:HE2
54:BA:2718:G:O3'
35:BM:34:LYS:HE3 35:BM:131:VAL:HG11
33:BK:119:ALA:H
33:BK:120:PRO:CD
21:AA:865:A:H2'
21:AA:866:C:C6
7:AH:60:LEU:H
7:AH:60:LEU:HD23
21:AA:1517:G:H2'
21:AA:1518:A:C8
35:BM:14:LYS:HE3
54:BA:958:U:C2
4:AE:155:LYS:HE3
7:AH:44:PHE:CE1
45:BW:9:THR:HB
45:BW:10:ARG:HA
54:BA:833:A:H2'
54:BA:834:G:C8
33:BK:105:ARG:NE
33:BK:105:ARG:H
33:BK:119:ALA:H
33:BK:120:PRO:HD2
There are no symmetry-related clashes.
Interatomic
distance (Å)
1.72
1.91
2.29
2.48
1.98
2.17
1.99
2.31
2.55
1.84
2.56
2.56
2.56
2.02
2.56
2.20
1.87
Clash
overlap (Å)
0.54
0.52
0.50
0.48
0.46
0.45
0.44
0.44
0.42
0.41
0.41
0.41
0.41
0.41
0.41
0.40
0.40
Page 226
5.3
wwPDB EM Map/Model Validation Report
Torsion angles
4V74
O
i
5.3.1 Protein backbone O
i
In the following table, the Percentiles column shows the percent Ramachandran outliers of the
chain as a percentile score with respect to all PDB entries followed by that with respect to all EM
entries.
The Analysed column shows the number of residues for which the backbone conformation was
analysed, and the total number of residues.
Mol Chain
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
25
26
27
28
29
AB
AC
AD
AE
AF
AG
AH
AI
AJ
AK
AL
AM
AN
AO
AP
AQ
AR
AS
AT
AU
BC
BD
BE
BF
BG
Analysed
218/220 (99%)
205/208 (99%)
203/206 (98%)
150/152 (99%)
99/101 (98%)
150/152 (99%)
127/130 (98%)
126/128 (98%)
98/100 (98%)
116/118 (98%)
121/124 (98%)
112/115 (97%)
98/101 (97%)
86/89 (97%)
79/81 (98%)
80/82 (98%)
55/57 (96%)
79/81 (98%)
84/86 (98%)
51/53 (96%)
270/273 (99%)
207/209 (99%)
199/201 (99%)
176/179 (98%)
174/177 (98%)
Favoured Allowed Outliers Percentiles
200 (92%)
184 (90%)
185 (91%)
134 (89%)
80 (81%)
136 (91%)
116 (91%)
107 (85%)
88 (90%)
107 (92%)
107 (88%)
94 (84%)
87 (89%)
81 (94%)
71 (90%)
75 (94%)
50 (91%)
71 (90%)
76 (90%)
32 (63%)
238 (88%)
185 (89%)
171 (86%)
155 (88%)
155 (89%)
17 (8%)
15 (7%)
14 (7%)
10 (7%)
13 (13%)
10 (7%)
8 (6%)
15 (12%)
5 (5%)
7 (6%)
8 (7%)
13 (12%)
11 (11%)
4 (5%)
5 (6%)
5 (6%)
4 (7%)
5 (6%)
8 (10%)
15 (29%)
25 (9%)
17 (8%)
20 (10%)
17 (10%)
12 (7%)
1 (0%)
6 (3%)
4 (2%)
6 (4%)
6 (6%)
4 (3%)
3 (2%)
4 (3%)
5 (5%)
2 (2%)
6 (5%)
5 (4%)
0
1 (1%)
3 (4%)
0
1 (2%)
3 (4%)
0
4 (8%)
7 (3%)
5 (2%)
8 (4%)
4 (2%)
7 (4%)
34
6
9
4
2
6
7
5
2
11
3
3
100
16
4
100
11
4
100
1
7
7
4
8
4
77
43
51
35
26
45
47
41
30
55
31
33
100
61
37
100
53
37
100
20
45
47
35
48
35
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Mol Chain
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
56
All
BH
BI
BJ
BK
BL
BM
BN
BO
BP
BQ
BR
BS
BT
BU
BV
BW
BX
BY
BZ
B0
B1
B2
B3
B4
B5
All
Analysed
Favoured Allowed Outliers Percentiles
147/149 (99%)
137 (93%)
139/142 (98%)
125 (90%)
140/142 (99%)
126 (90%)
121/123 (98%)
107 (88%)
141/144 (98%)
124 (88%)
134/136 (98%)
115 (86%)
119/121 (98%)
105 (88%)
114/117 (97%)
108 (95%)
112/115 (97%)
92 (82%)
115/118 (98%)
108 (94%)
101/103 (98%)
91 (90%)
108/110 (98%)
105 (97%)
92/94 (98%)
80 (87%)
101/104 (97%)
83 (82%)
92/94 (98%)
89 (97%)
78/80 (98%)
59 (76%)
75/79 (95%)
68 (91%)
61/63 (97%)
57 (93%)
56/59 (95%)
49 (88%)
54/57 (95%)
48 (89%)
50/52 (96%)
46 (92%)
44/46 (96%)
40 (91%)
62/65 (95%)
54 (87%)
36/38 (95%)
33 (92%)
221/234 (94%)
211 (96%)
5876/6008 (98%) 5245 (89%)
All (155) Ramachandran outliers are listed below:
Mol Chain Res Type
1
2
5
AB
AC
AF
224
14
86
ARG
VAL
ARG
Continued on next page...
4V74
9 (6%)
1 (1%)
12 (9%)
2 (1%)
11 (8%)
3 (2%)
10 (8%)
4 (3%)
11 (8%)
6 (4%)
14 (10%) 5 (4%)
11 (9%)
3 (2%)
3 (3%)
3 (3%)
17 (15%) 3 (3%)
5 (4%)
2 (2%)
7 (7%)
3 (3%)
2 (2%)
1 (1%)
6 (6%)
6 (6%)
14 (14%) 4 (4%)
3 (3%)
0
17 (22%) 2 (3%)
3 (4%)
4 (5%)
4 (7%)
0
4 (7%)
3 (5%)
6 (11%)
0
4 (8%)
0
4 (9%)
0
5 (8%)
3 (5%)
2 (6%)
1 (3%)
9 (4%)
1 (0%)
476 (8%) 155 (3%)
26
14
9
5
3
4
7
7
6
11
5
21
1
4
100
7
2
100
2
100
100
100
3
6
34
11
71
58
50
40
34
38
46
45
45
55
42
67
25
35
100
45
29
100
29
100
100
100
32
44
77
45
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wwPDB EM Map/Model Validation Report
Continued from previous page...
Mol Chain Res Type
15
15
18
25
26
27
28
29
33
33
34
43
56
2
3
4
5
5
5
6
6
8
8
9
11
11
11
14
18
20
25
29
29
29
30
31
32
32
32
34
34
34
AP
AP
AS
BC
BD
BE
BF
BG
BK
BK
BL
BU
B5
AC
AD
AE
AF
AF
AF
AG
AG
AI
AI
AJ
AL
AL
AL
AO
AS
AU
BC
BG
BG
BG
BH
BI
BJ
BJ
BJ
BL
BL
BL
11
17
4
191
2
96
12
8
103
119
29
45
50
65
24
158
10
52
63
9
56
115
120
75
33
78
108
45
5
25
36
16
22
59
67
135
48
72
81
33
34
36
ALA
TYR
LEU
LEU
ILE
VAL
VAL
VAL
VAL
ALA
LYS
GLN
ILE
VAL
VAL
LYS
VAL
ASN
ASN
ARG
SER
VAL
ALA
ASP
CYS
VAL
ASP
HIS
LYS
ALA
ASN
VAL
VAL
ASP
ALA
MET
VAL
LYS
ILE
ARG
GLY
LYS
Continued on next page...
4V74
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Mol Chain Res Type
34
35
35
35
36
37
39
42
42
42
42
43
43
46
52
3
3
4
4
6
7
7
9
10
12
17
18
20
25
25
26
26
26
27
27
27
27
28
28
33
35
35
BL
BM
BM
BM
BN
BO
BQ
BT
BT
BT
BT
BU
BU
BX
B3
AD
AD
AE
AE
AG
AH
AH
AJ
AK
AM
AR
AS
AU
BC
BC
BD
BD
BD
BE
BE
BE
BE
BF
BF
BK
BM
BM
94
36
70
123
110
89
87
11
39
66
68
50
92
27
3
3
4
43
54
60
53
69
102
117
21
21
33
27
189
196
60
112
119
46
71
97
120
46
116
22
21
58
THR
VAL
ASP
LYS
MET
ASP
VAL
LEU
THR
LYS
LYS
ALA
VAL
ARG
ILE
TYR
LEU
GLY
GLU
ALA
ASP
ALA
LEU
HIS
ILE
ASP
TRP
VAL
ALA
ASN
VAL
THR
ALA
GLN
GLY
ASN
VAL
LYS
LEU
ILE
ALA
LYS
Continued on next page...
4V74
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Continued from previous page...
Mol Chain Res Type
36
37
37
38
40
42
43
45
52
2
2
2
3
4
5
8
8
11
11
12
20
25
27
33
38
40
45
2
4
5
6
10
12
15
27
27
36
39
42
48
48
52
BN
BO
BO
BP
BR
BT
BU
BW
B3
AC
AC
AC
AD
AE
AF
AI
AI
AL
AL
AM
AU
BC
BE
BK
BP
BR
BW
AC
AE
AF
AG
AK
AM
AP
BE
BE
BN
BQ
BT
BZ
BZ
B3
2
23
102
31
43
2
43
15
25
145
163
167
28
105
59
42
55
87
122
22
24
109
165
2
86
51
23
206
22
6
5
12
11
26
79
90
66
4
28
3
4
35
ARG
ALA
ARG
VAL
ASN
ILE
LYS
SER
HIS
ALA
ARG
TYR
ASP
ILE
TYR
THR
ASP
LYS
LYS
TYR
LYS
LEU
HIS
ILE
LYS
VAL
LYS
ILE
LYS
ILE
VAL
ARG
HIS
ASN
ARG
GLN
ALA
LYS
ASN
THR
ILE
LYS
Continued on next page...
4V74
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4V74
Continued from previous page...
Mol Chain Res Type
29
31
40
46
46
48
4
9
26
29
7
25
28
34
46
9
12
20
29
53
9
12
25
41
11
38
BG
BI
BR
BX
BX
BZ
AE
AJ
BD
BG
AH
BC
BF
BL
BX
AJ
AM
AU
BG
B4
AJ
AM
BC
BS
AL
BP
164
31
29
19
40
9
103
57
73
9
77
136
136
55
6
38
66
13
116
16
42
3
53
29
43
32
ALA
GLY
THR
HIS
GLU
THR
GLY
VAL
VAL
VAL
VAL
VAL
ILE
MET
VAL
GLY
GLY
VAL
LEU
ILE
LEU
ILE
ILE
VAL
LYS
VAL
5.3.2 Protein sidechains O
i
In the following table, the Percentiles column shows the percent sidechain outliers of the chain
as a percentile score with respect to all PDB entries followed by that with respect to all EM
entries.
The Analysed column shows the number of residues for which the sidechain conformation was
analysed, and the total number of residues.
Mol Chain
1
2
3
4
AB
AC
AD
AE
Analysed
180/180 (100%)
170/171 (99%)
172/173 (99%)
113/113 (100%)
Rotameric Outliers Percentiles
177 (98%)
168 (99%)
171 (99%)
112 (99%)
3 (2%)
2 (1%)
1 (1%)
1 (1%)
68
78
90
84
87
90
95
93
Continued on next page...
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Mol Chain
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
AF
AG
AH
AI
AJ
AK
AL
AM
AN
AO
AP
AQ
AR
AS
AT
AU
BC
BD
BE
BF
BG
BH
BI
BJ
BK
BL
BM
BN
BO
BP
BQ
Analysed
87/87 (100%)
123/123 (100%)
104/105 (99%)
105/105 (100%)
86/86 (100%)
90/90 (100%)
103/104 (99%)
91/92 (99%)
83/84 (99%)
76/77 (99%)
65/65 (100%)
74/74 (100%)
48/48 (100%)
70/70 (100%)
65/65 (100%)
44/44 (100%)
216/217 (100%)
164/164 (100%)
165/165 (100%)
149/150 (99%)
137/138 (99%)
114/114 (100%)
109/110 (99%)
116/116 (100%)
103/103 (100%)
102/103 (99%)
109/109 (100%)
100/100 (100%)
86/87 (99%)
99/100 (99%)
89/90 (99%)
Rotameric Outliers Percentiles
87 (100%)
122 (99%)
101 (97%)
101 (96%)
83 (96%)
90 (100%)
102 (99%)
90 (99%)
81 (98%)
74 (97%)
65 (100%)
71 (96%)
45 (94%)
69 (99%)
64 (98%)
44 (100%)
210 (97%)
160 (98%)
162 (98%)
147 (99%)
133 (97%)
114 (100%)
108 (99%)
113 (97%)
102 (99%)
100 (98%)
107 (98%)
99 (99%)
86 (100%)
97 (98%)
87 (98%)
0
1 (1%)
3 (3%)
4 (4%)
3 (4%)
0
1 (1%)
1 (1%)
2 (2%)
2 (3%)
0
3 (4%)
3 (6%)
1 (1%)
1 (2%)
0
6 (3%)
4 (2%)
3 (2%)
2 (1%)
4 (3%)
0
1 (1%)
3 (3%)
1 (1%)
2 (2%)
2 (2%)
1 (1%)
0
2 (2%)
2 (2%)
100
86
50
40
43
100
82
80
57
54
100
37
22
74
72
100
51
57
66
76
50
100
84
54
82
63
66
82
100
63
60
100
94
78
73
74
100
92
91
82
80
100
71
59
89
88
100
78
82
87
89
78
100
93
80
92
85
87
92
100
85
83
Continued on next page...
4V74
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Mol Chain
40
41
42
43
44
45
46
47
48
49
50
51
52
53
56
All
BR
BS
BT
BU
BV
BW
BX
BY
BZ
B0
B1
B2
B3
B4
B5
All
Analysed
84/84 (100%)
93/93 (100%)
80/80 (100%)
83/84 (99%)
78/78 (100%)
59/59 (100%)
67/68 (98%)
55/55 (100%)
48/49 (98%)
47/48 (98%)
45/45 (100%)
38/38 (100%)
51/52 (98%)
34/34 (100%)
173/181 (96%)
4842/4870 (99%)
Rotameric Outliers Percentiles
84 (100%)
92 (99%)
80 (100%)
81 (98%)
78 (100%)
53 (90%)
66 (98%)
54 (98%)
48 (100%)
46 (98%)
44 (98%)
38 (100%)
48 (94%)
34 (100%)
169 (98%)
4757 (98%)
0
1 (1%)
0
2 (2%)
0
6 (10%)
1 (2%)
1 (2%)
0
1 (2%)
1 (2%)
0
3 (6%)
0
4 (2%)
85 (2%)
100 100
80 91
100 100
57 82
100 100
9 37
72 88
66 87
100 100
61 84
60 83
100 100
24 61
100 100
58 83
69 87
All (85) residues with a non-rotameric sidechain are listed below:
Mol Chain Res Type
1
1
1
2
2
3
4
6
7
7
7
8
8
8
8
9
9
AB
AB
AB
AC
AC
AD
AE
AG
AH
AH
AH
AI
AI
AI
AI
AJ
AJ
56
71
136
128
198
196
151
56
40
66
104
41
42
105
125
19
44
LEU
THR
ARG
MET
LYS
GLU
MET
SER
LYS
GLN
SER
GLU
THR
ARG
GLN
ASP
THR
Continued on next page...
4V74
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Continued from previous page...
Mol Chain Res Type
9
11
12
13
13
14
14
16
16
16
17
17
17
18
19
25
25
25
25
25
25
26
26
26
26
27
27
27
28
28
29
29
29
29
31
32
32
32
33
34
34
35
AJ
AL
AM
AN
AN
AO
AO
AQ
AQ
AQ
AR
AR
AR
AS
AT
BC
BC
BC
BC
BC
BC
BD
BD
BD
BD
BE
BE
BE
BF
BF
BG
BG
BG
BG
BI
BJ
BJ
BJ
BK
BL
BL
BM
102
8
81
41
42
19
46
7
17
43
32
66
69
78
27
47
50
86
123
194
229
15
33
154
200
35
79
125
80
124
148
163
165
166
110
9
14
24
105
4
93
1
LEU
ARG
ASP
ARG
TRP
ASN
LYS
LEU
GLU
LEU
ILE
LEU
TYR
THR
MET
ARG
THR
ARG
ILE
VAL
HIS
PHE
ARG
LYS
ASP
TYR
ARG
SER
GLN
ARG
ARG
TYR
ASP
GLU
GLN
GLU
ASP
THR
ARG
ASN
ASN
MET
Continued on next page...
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4V74
Continued from previous page...
Mol Chain Res Type
35
36
38
38
39
39
41
43
43
45
45
45
45
45
45
46
47
49
50
52
52
52
56
56
56
56
BM
BN
BP
BP
BQ
BQ
BS
BU
BU
BW
BW
BW
BW
BW
BW
BX
BY
B0
B1
B3
B3
B3
B5
B5
B5
B5
97
37
105
108
50
56
60
8
44
10
13
39
40
49
63
15
26
37
20
37
38
53
126
129
164
165
GLN
THR
LYS
ARG
ARG
PHE
HIS
ASP
HIS
ARG
ARG
GLN
ARG
ASN
ASP
ASN
PHE
HIS
TYR
THR
LYS
ASP
GLN
GLN
ARG
ASN
Some sidechains can be ipped to improve hydrogen bonding and reduce clashes. All (4) such
sidechains are listed below:
Mol Chain Res Type
12
44
46
49
AM
BV
BX
B0
104
88
15
41
ASN
HIS
ASN
HIS
5.3.3 RNA O
Mol Chain Analysed
i
21
22
AA
A1
1530/1533 (99%)
73/76 (96%)
Backbone Outliers Pucker Outliers
248 (16%)
15 (20%)
86 (5%)
7 (9%)
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Mol Chain
23
24
54
55
All
A2
A3
BA
BB
All
Analysed
14/15 (93%)
76/77 (98%)
2902/2903 (99%)
117/118 (99%)
4712/4722 (99%)
Backbone Outliers Pucker Outliers
5 (35%)
13 (17%)
464 (15%)
15 (12%)
760 (16%)
All (760) RNA backbone outliers are listed below:
Mol Chain Res Type
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
6
7
8
9
16
28
32
35
39
47
48
51
52
54
56
66
67
71
81
86
90
91
95
110
121
124
131
144
163
164
168
198
207
G
A
A
G
A
A
A
G
G
C
C
A
C
C
U
A
C
A
A
G
C
U
C
C
U
C
A
G
C
G
G
G
C
Continued on next page...
3 (21%)
5 (6%)
110 (3%)
4 (3%)
215 (4%)
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Continued from previous page...
Mol Chain Res Type
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
212
213
214
236
238
239
240
244
245
247
250
251
252
266
267
272
279
289
293
307
308
315
316
317
328
329
344
345
347
352
353
354
358
361
367
372
381
384
389
397
412
413
G
G
C
A
A
U
G
U
U
G
A
G
U
G
C
C
A
G
G
C
C
A
C
U
C
A
A
C
G
C
A
G
U
G
U
C
C
G
A
A
A
G
Continued on next page...
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Mol Chain Res Type
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
414
415
422
424
428
429
458
461
462
464
472
474
484
496
499
511
527
533
547
559
560
561
562
564
566
572
573
575
576
577
607
608
618
619
620
626
632
633
653
659
663
664
A
A
C
G
G
U
U
A
G
U
U
G
G
A
A
C
G
A
A
A
A
U
U
C
G
A
A
G
C
G
A
A
C
U
C
G
U
G
U
U
A
G
Continued on next page...
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Mol Chain Res Type
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
714
718
731
755
777
794
812
815
816
817
819
822
828
841
843
845
846
872
885
890
902
918
927
933
934
935
939
942
945
958
959
960
961
962
964
965
968
969
971
972
975
977
G
A
G
G
A
A
G
A
A
C
A
U
U
C
U
A
G
A
G
G
G
A
G
G
C
A
G
G
G
A
A
U
U
C
A
U
A
A
G
C
A
A
Continued on next page...
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Mol Chain Res Type
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
980
983
992
993
994
996
1004
1006
1026
1028
1032
1033
1049
1053
1054
1055
1056
1061
1065
1068
1081
1094
1095
1101
1102
1124
1125
1130
1137
1139
1143
1159
1161
1167
1168
1169
1183
1189
1190
1191
1193
1202
C
A
U
G
A
A
A
G
G
C
G
G
U
G
C
A
U
G
U
G
A
G
U
A
A
G
U
A
C
G
G
U
C
A
U
A
U
U
G
A
G
U
Continued on next page...
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Continued from previous page...
Mol Chain Res Type
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
1203
1212
1213
1217
1221
1224
1225
1227
1232
1240
1241
1256
1257
1260
1267
1278
1280
1281
1286
1302
1303
1307
1308
1317
1319
1320
1321
1323
1329
1338
1346
1360
1363
1378
1394
1397
1401
1402
1413
1432
1447
1460
C
U
A
C
G
U
A
A
U
U
G
A
A
G
C
G
A
C
U
C
C
U
U
C
A
C
U
G
A
G
A
A
A
C
A
C
G
C
A
G
A
C
Continued on next page...
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Mol Chain Res Type
21
21
21
21
21
22
22
22
22
22
22
22
22
22
22
22
22
22
22
22
23
23
23
23
23
24
24
24
24
24
24
24
24
24
24
24
24
24
54
54
54
54
AA
AA
AA
AA
AA
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A1
A2
A2
A2
A2
A2
A3
A3
A3
A3
A3
A3
A3
A3
A3
A3
A3
A3
A3
BA
BA
BA
BA
1503
1505
1506
1529
1530
3
10
17
19
44
45
46
47
49
59
61
70
71
74
76
81
85
89
90
93
2
9
18
20
31
48
49
60
61
63
73
74
77
15
29
34
45
A
G
U
G
G
G
G
U
G
G
G
7MG
U
G
U
C
C
C
C
A
U
G
U
U
U
G
G
U
G
G
U
C
A
U
C
A
A
A
G
U
U
G
Continued on next page...
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
60
62
71
74
75
77
100
101
118
119
120
121
122
128
139
141
142
143
165
180
181
196
199
200
205
206
216
221
222
230
233
245
248
271
272
273
275
278
279
283
297
316
G
U
A
A
G
G
U
A
A
A
U
G
G
C
U
G
A
C
A
G
A
A
A
U
G
U
A
A
A
G
A
G
G
G
A
G
C
A
A
G
G
C
Continued on next page...
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
323
324
325
330
331
333
346
365
372
373
374
389
390
403
404
405
406
411
413
430
436
443
444
450
451
453
457
475
481
482
491
504
505
507
518
527
529
530
531
532
533
546
C
A
G
A
C
G
A
U
G
U
A
G
U
U
A
U
G
G
C
A
C
A
C
G
U
A
A
C
G
A
G
A
A
A
G
C
A
G
C
A
G
U
Continued on next page...
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
547
548
563
571
572
573
587
603
615
616
620
621
628
637
644
653
654
671
672
686
706
719
732
736
747
748
751
752
775
776
781
782
784
788
789
791
793
799
800
805
830
846
A
G
A
U
A
U
C
A
U
A
G
A
G
A
A
U
A
C
C
U
A
C
C
C
U
G
A
A
G
G
A
A
G
A
A
C
A
G
A
G
G
U
Continued on next page...
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
847
848
853
854
888
889
890
891
910
912
915
931
932
933
941
945
946
955
958
959
981
983
984
996
999
1000
1005
1006
1012
1024
1026
1033
1044
1046
1047
1051
1057
1063
1067
1070
1072
1073
U
C
C
C
C
C
C
G
A
C
C
U
U
A
A
A
C
U
U
A
A
A
A
A
U
A
C
C
U
G
G
U
C
A
G
G
A
G
A
A
C
A
Continued on next page...
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
1076
1087
1088
1089
1094
1096
1109
1110
1129
1132
1133
1135
1142
1148
1155
1157
1158
1175
1176
1186
1204
1206
1227
1237
1238
1242
1245
1256
1265
1275
1276
1287
1288
1289
1292
1293
1300
1301
1302
1313
1317
1322
C
G
A
A
U
A
C
G
A
U
A
C
A
U
A
G
C
A
U
G
A
G
G
A
G
U
G
G
A
A
A
A
G
C
G
C
G
A
A
U
G
A
Continued on next page...
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
1325
1329
1330
1333
1341
1365
1378
1379
1383
1385
1389
1390
1398
1399
1416
1417
1420
1421
1428
1439
1440
1452
1455
1482
1490
1491
1493
1523
1524
1532
1535
1537
1538
1539
1540
1555
1568
1578
1591
1598
1603
1607
U
U
C
G
G
A
A
U
A
A
G
U
C
C
G
C
A
G
C
A
U
G
G
G
A
G
C
U
G
A
A
G
G
U
G
G
G
U
A
A
A
C
Continued on next page...
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
1610
1611
1616
1618
1627
1647
1648
1651
1652
1654
1655
1664
1670
1674
1675
1693
1696
1699
1700
1701
1707
1713
1714
1730
1731
1733
1763
1764
1773
1775
1780
1782
1783
1784
1791
1797
1800
1808
1809
1815
1816
1817
A
C
A
A
G
U
U
G
A
A
A
A
C
G
C
U
G
G
A
A
G
A
U
C
G
G
G
C
A
U
A
U
A
A
A
G
C
A
A
A
C
G
Continued on next page...
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
1821
1835
1858
1870
1871
1873
1877
1886
1896
1906
1916
1919
1926
1929
1930
1937
1938
1945
1955
1963
1964
1967
1970
1971
1972
1982
1993
1997
2016
2023
2030
2043
2047
2052
2055
2061
2062
2069
2076
2077
2090
2092
A
G
A
C
A
G
A
U
G
G
A
A
U
G
G
A
A
G
U
U
G
C
A
U
G
U
U
C
U
C
A
C
C
A
C
G
A
G
U
A
A
U
Continued on next page...
4V74
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
2093
2111
2113
2117
2118
2133
2145
2146
2148
2157
2159
2160
2163
2164
2169
2172
2173
2198
2203
2211
2212
2216
2238
2246
2253
2266
2274
2276
2283
2286
2287
2297
2305
2309
2312
2321
2325
2333
2334
2335
2339
2343
G
U
U
A
U
G
C
C
G
G
G
C
A
C
A
U
A
A
U
A
A
G
G
G
G
A
A
G
C
G
A
A
U
A
U
U
G
A
U
A
C
U
Continued on next page...
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
2344
2347
2383
2385
2392
2402
2407
2425
2428
2429
2430
2432
2433
2435
2439
2440
2441
2447
2448
2449
2450
2452
2473
2474
2476
2491
2492
2499
2500
2501
2502
2503
2513
2531
2532
2558
2565
2566
2567
2572
2573
2576
U
C
G
C
A
U
A
A
G
G
A
A
A
A
A
C
U
G
A
U
A
C
U
U
A
U
U
C
U
C
G
A
A
A
G
C
A
A
G
A
C
G
Continued on next page...
4V74
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
55
55
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BB
BB
2578
2585
2586
2592
2596
2599
2602
2603
2609
2613
2630
2644
2645
2646
2655
2660
2661
2669
2681
2684
2689
2690
2691
2736
2751
2765
2766
2778
2780
2791
2798
2809
2817
2820
2821
2850
2861
2876
2894
2895
3
11
G
U
U
G
U
G
A
G
U
U
G
G
G
C
G
A
G
G
C
U
U
U
C
A
G
A
A
A
G
G
U
A
U
A
A
A
U
G
G
G
C
C
Continued on next page...
4V74
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Mol Chain Res Type
55
55
55
55
55
55
55
55
55
55
55
55
55
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
BB
12
15
25
30
42
45
81
82
83
88
90
108
109
C
A
U
C
C
A
G
U
G
C
C
A
A
All (215) RNA pucker outliers are listed below:
Mol Chain Res Type
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
5
6
7
15
32
34
51
66
71
90
109
120
123
162
163
206
212
235
238
243
251
271
307
315
316
U
G
A
G
A
C
A
A
A
C
A
A
U
A
C
C
G
C
A
A
G
C
C
A
C
Continued on next page...
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Mol Chain Res Type
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
327
329
343
351
354
414
462
464
472
473
496
499
531
532
559
560
575
607
610
632
641
659
663
844
869
872
884
913
926
932
944
964
982
1032
1054
1066
1080
1092
1101
1123
1124
1129
A
A
U
G
G
A
G
U
U
U
A
A
U
A
A
A
G
A
U
U
U
U
A
G
G
A
U
A
G
C
G
A
U
G
C
C
A
A
A
U
G
C
Continued on next page...
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Mol Chain Res Type
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
21
22
22
22
22
22
22
22
23
23
23
24
24
24
24
24
54
54
54
54
54
54
54
54
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
AA
A1
A1
A1
A1
A1
A1
A1
A2
A2
A2
A3
A3
A3
A3
A3
BA
BA
BA
BA
BA
BA
BA
BA
1137
1139
1159
1168
1187
1190
1201
1212
1231
1241
1298
1300
1345
1346
1365
1401
1459
1505
1533
10
15
19
45
46
49
70
80
88
89
16
19
47
60
62
33
60
121
125
177
199
205
221
C
G
U
U
G
G
A
U
G
G
U
G
U
A
G
G
G
G
C
G
G
G
G
7MG
G
C
C
U
U
C
G
G
A
C
C
G
G
A
G
A
G
A
Continued on next page...
4V74
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
222
278
279
323
332
345
389
403
448
481
529
531
546
570
571
614
615
620
643
645
652
670
685
847
853
933
954
957
978
980
983
1005
1069
1070
1087
1099
1109
1185
1287
1288
1299
1300
A
A
A
C
A
A
G
U
U
G
A
C
U
G
U
A
U
G
A
C
U
A
A
U
C
A
G
C
G
A
A
C
A
A
G
G
C
G
A
G
G
G
Continued on next page...
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Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
1312
1324
1325
1332
1340
1379
1398
1420
1427
1439
1451
1455
1554
1602
1610
1625
1647
1654
1674
1695
1706
1713
1730
1731
1781
1783
1787
1808
1816
1876
1913
1936
1938
1963
1970
2030
2051
2092
2111
2145
2163
2172
U
G
U
G
U
U
C
A
A
A
C
G
U
U
A
C
U
A
G
G
C
A
C
G
U
A
A
A
C
A
A
A
A
U
A
A
A
U
U
C
A
U
Continued on next page...
4V74
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4V74
Continued from previous page...
Mol Chain Res Type
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
54
55
55
55
55
5.4
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BA
BB
BB
BB
BB
2251
2282
2286
2324
2343
2423
2430
2439
2451
2491
2500
2502
2531
2564
2585
2689
2726
2894
2
24
56
81
G
G
G
U
U
U
A
A
A
U
U
G
A
A
U
U
A
G
G
G
G
G
Non-standard residues in protein, DNA, RNA chains
O
i
11 non-standard protein/DNA/RNA residues are modelled in this entry.
In the following table, the Counts columns list the number of bonds (or angles) for which Mogul
statistics could be retrieved, the number of bonds (or angles) that are observed in the model and
the number of bonds (or angles) that are dened in the chemical component dictionary. The Link
column lists molecule types, if any, to which the group is linked. The Z score for a bond length
(or angle) is the number of standard deviations the observed value is removed from the expected
value. A bond length (or angle) with |Z| > 2 is considered an outlier worth inspection. RMSZ is
the root-mean-square of all Z scores of the bond lengths (or angles).
Mol Type Chain Res Link
22
22
22
22
22
CM0
6MZ
7MG
5MU
PSU
A1
A1
A1
A1
A1
34
37
46
54
55
Bond lengths
Counts RMSZ #|Z| > 2
21,22 15,26,27 1.92
3 (20%)
22 17,25,26 0.99
1 (5%)
22 20,26,27 2.19
3 (15%)
22 13,22,23 1.21
2 (15%)
22 15,21,22 1.03
1 (6%)
Bond angles
Counts RMSZ #|Z| > 2
18,37,40 3.16
4 (22%)
15,36,39 1.09
1 (6%)
23,39,42 2.14
2 (8%)
16,32,35 4.75
2 (12%)
16,30,33 3.32
5 (31%)
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wwPDB EM Map/Model Validation Report
Mol Type Chain Res Link
22
24
24
24
24
24
4SU
H2U
OMC
5MU
PSU
4SU
A1
A3
A3
A3
A3
A3
7
21
33
55
56
8
22
24
24
24
24
24
Bond lengths
4V74
Bond angles
Counts RMSZ #|Z| > 2
12,21,22 1.10
1 (8%)
17,21,22 1.45
2 (11%)
15,22,23 1.13
0
13,22,23 1.06
1 (7%)
15,21,22 1.35
2 (13%)
12,21,22 1.19
2 (16%)
Counts RMSZ #|Z| > 2
15,30,33 2.24
3 (20%)
23,30,33 1.29
4 (17%)
20,31,34 1.07
1 (5%)
16,32,35 4.45
2 (12%)
16,30,33 3.44
4 (25%)
15,30,33 2.20
1 (6%)
In the following table, the Chirals column lists the number of chiral outliers, the number of chiral
centers analysed, the number of these observed in the model and the number dened in the chemical
component dictionary. Similar counts are reported in the Torsion and Rings columns. '-' means
no outliers of that kind were identied.
Mol Type Chain Res Link Chirals Torsions Rings
22
22
22
22
22
22
24
24
24
24
24
CM0
6MZ
7MG
5MU
PSU
4SU
H2U
OMC
5MU
PSU
4SU
A1
A1
A1
A1
A1
A1
A3
A3
A3
A3
A3
34
37
46
54
55
7
21
33
55
56
8
21,22
22
22
22
22
22
24
24
24
24
24
-
0/6/30/31
0/5/27/28
0/7/37/38
0/3/25/26
0/7/25/26
0/3/25/26
0/7/38/39
0/5/27/28
0/3/25/26
0/7/25/26
0/3/25/26
0/2/2/2
0/3/3/3
0/3/3/3
0/2/2/2
0/2/2/2
0/2/2/2
0/2/2/2
0/2/2/2
0/2/2/2
0/2/2/2
0/2/2/2
All (18) bond length outliers are listed below:
Mol Chain Res Type Atoms Z Observed(Å) Ideal(Å)
22
22
24
24
22
22
24
22
24
22
24
22
22
A1
A1
A3
A3
A1
A1
A3
A1
A3
A1
A3
A1
A1
46
34
21
21
46
37
56
34
8
7
8
55
54
7MG
CM0
H2U
H2U
7MG
6MZ
PSU
CM0
4SU
4SU
4SU
PSU
5MU
C8-N9
O5-C5
C4-N3
C2-N3
C8-N7
C8-N7
O4'-C1'
C4-N3
O4'-C1'
C6-N1
C6-N1
C4-N3
O4'-C1'
-8.13
-6.17
-3.55
-3.36
-2.68
-2.36
-2.03
2.15
2.17
2.24
2.34
2.40
2.43
1.33
1.25
1.31
1.31
1.31
1.30
1.41
1.36
1.44
1.38
1.38
1.37
1.44
1.45
1.37
1.37
1.38
1.43
1.34
1.44
1.33
1.41
1.35
1.35
1.33
1.41
Continued on next page...
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4V74
Continued from previous page...
Mol Chain Res Type Atoms Z Observed(Å) Ideal(Å)
22
24
22
22
24
A1
A3
A1
A1
A3
54
55
34
46
56
5MU
5MU
CM0
7MG
PSU
C4-N3
C4-N3
C4-C5
C6-N1
C4-N3
2.46
2.60
2.68
2.69
2.76
All (29) bond angle outliers are listed below:
Mol Chain Res Type
22
24
24
22
22
22
22
22
24
24
22
22
24
24
22
22
24
24
22
22
22
24
24
22
22
22
24
24
22
A1
A3
A3
A1
A1
A1
A1
A1
A3
A3
A1
A1
A3
A3
A1
A1
A3
A3
A1
A1
A1
A3
A3
A1
A1
A1
A3
A3
A1
54
55
8
7
46
55
7
55
56
33
34
55
56
21
34
7
21
21
34
55
37
21
56
46
55
34
55
56
54
5MU
5MU
4SU
4SU
7MG
PSU
4SU
PSU
PSU
OMC
CM0
PSU
PSU
H2U
CM0
4SU
H2U
H2U
CM0
PSU
6MZ
H2U
PSU
7MG
PSU
CM0
5MU
PSU
5MU
There are no chirality outliers.
There are no torsion outliers.
There are no ring outliers.
Atoms
1.37
1.37
1.47
1.37
1.38
Z
C5-C4-N3 -13.21
C5-C4-N3 -12.35
C5-C4-N3 -7.81
C5-C4-N3 -7.11
C5-C6-N1 -6.89
C5-C1'-C2' -3.75
C4'-O4'-C1' -3.28
C5-C6-N1 -2.96
C5-C6-N1 -2.94
C4'-O4'-C1' -2.86
C4'-O4'-C1' -2.33
C4'-O4'-C1' -2.25
O2'-C2'-C1' -2.24
C5-C4-N3
2.01
O5-C7-C8
2.10
O4'-C4'-C3' 2.11
C4-N3-C2
2.43
C5-C6-N1
2.47
O5-C5-C4
2.62
O4'-C1'-C2' 2.89
C2-N1-C6
2.94
N3-C2-N1
3.28
O4'-C1'-C2' 3.97
C6-N1-C2
6.78
C4-N3-C2 11.47
C4-N3-C2 12.27
C4-N3-C2 12.32
C4-N3-C2 12.37
C4-N3-C2 13.05
1.33
1.33
1.40
1.33
1.33
Observed( ) Ideal( )
o
114.26
114.98
115.28
116.02
113.14
109.07
106.17
120.25
120.28
106.62
107.17
107.23
107.06
118.75
112.35
109.43
127.97
113.47
118.75
107.82
118.58
119.68
108.98
123.82
124.73
125.40
125.44
125.47
126.05
o
125.35
125.35
123.56
123.56
123.39
115.44
109.64
124.38
124.38
109.64
109.64
109.54
111.93
116.62
108.01
105.16
125.77
110.76
115.20
104.69
116.47
116.64
104.69
115.88
115.16
115.16
115.16
115.16
115.16
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4V74
No monomer is involved in short contacts.
5.5
Carbohydrates
O
i
There are no carbohydrates in this entry.
5.6
Ligand geometry
O
i
2 ligands are modelled in this entry.
In the following table, the Counts columns list the number of bonds (or angles) for which Mogul
statistics could be retrieved, the number of bonds (or angles) that are observed in the model and
the number of bonds (or angles) that are dened in the chemical component dictionary. The Link
column lists molecule types, if any, to which the group is linked. The Z score for a bond length
(or angle) is the number of standard deviations the observed value is removed from the expected
value. A bond length (or angle) with |Z| > 2 is considered an outlier worth inspection. RMSZ is
the root-mean-square of all Z scores of the bond lengths (or angles).
Bond lengths
Mol Type Chain Res Link
57
58
VAL
FME
A1
BA
Bond angles
Counts RMSZ #|Z| > 2 Counts RMSZ #|Z| > 2
101 58,22 5,6,7
0.63
0
5,7,9
2.26
2 (40%)
3001 57
8,9,10
0.61
0
5,9,11
1.37
1 (20%)
In the following table, the Chirals column lists the number of chiral outliers, the number of chiral
centers analysed, the number of these observed in the model and the number dened in the chemical
component dictionary. Similar counts are reported in the Torsion and Rings columns. '-' means
no outliers of that kind were identied.
Mol Type Chain Res Link Chirals Torsions Rings
57
58
VAL
FME
A1
BA
101 58,22
3001 57
-
0/4/6/8 0/0/0/0
1/6/9/11 0/0/0/0
There are no bond length outliers.
All (3) bond angle outliers are listed below:
Mol Chain Res Type Atoms
57
58
57
A1
BA
A1
101
3001
101
VAL
FME
VAL
Z Observed( ) Ideal( )
O-C-CA -3.85
O1-CN-N -2.29
C-CA-N 3.27
There are no chirality outliers.
All (1) torsion outliers are listed below:
o
115.18
121.30
117.17
o
125.69
124.80
109.95
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Mol Chain Res Type
58
BA
3001
Atoms
FME
O1-CN-N-CA
There are no ring outliers.
No monomer is involved in short contacts.
5.7
Other polymers
O
i
There are no such residues in this entry.
5.8
Polymer linkage issues
O
There are no chain breaks in this entry.
i
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