MolProbity Ramachandran analysis

Transcription

MolProbity Ramachandran analysis
MolProbity Ramachandran analysis
4HEA, model 1
General case
180
Isoleucine and valine
180
9 23
O
23 THR
THR
H
Q 216 ARG
S
K 86
86 ALA
ALA
Q
H 70 GLU
P
A 34
34X
LYS
LYS
W
37
37 TRP
TRP
Psi
Psi
B
1
5 ILE
6G 61
61ALA
ALA
D
3L
117
LEU
T 117
478LEU
ALA
ALA
6 58
G
58 ASN
ASN
0
0
M
U 42
42 THR
THR
Q
H 234 THR
451533LYS
GLN
TE
L
515 LYS
V
N 425 ALA
U 347
M
347 LEU
LEU
H
Q 232 TYR
C
6 ASP
2 ARG
B
360
1 360
H
Q 238
238 SER
SER
R
J 157
157 VAL
VAL
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
0
180
Glycine
180
Psi
Phi
Psi
P
A 49
49 ASP
ASP
0
0
H
Q 217 THR
L
T 21 GLY
GLY
L
T 434 HIS
HIS
H
Q 332 LEU
-180
-180
-180
0
Phi
180
Trans proline
180
-180
0
Psi
180
Phi
180
Cis proline
180
H
Q 333 PRO
Phi
E
4 35 PRO
Psi
V
N 338 PRO
0
0
M
44 PRO
PRO M
U 44
U 57
57 PRO
PRO
L
T 435 PRO
PRO
H
Q 218 PRO
P
A 43
43 PRO
PRO
-180
-180
-180
92.2% (8730/9464) of all residues were in favored (98%) regions.
99.3% (9394/9464) of all residues were in allowed (>99.8%) regions.
There were 70 outliers (phi, psi):
1 5 ILE (98.3, 81.1)
1 360 ARG (-43.6, -74.1)
2 6 ASP (-26.9, -70.1)
3 117 LEU (84.4, 43.1)
4 33 GLN (98.6, -24.5)
4 35 PRO (-100.1, 98.5)
6 58 ASN (-174.3, 14.5)
6 61 ALA (118.5, 58.2)
9 23 THR (138.3, 164.0)
W 37 TRP (85.5, 99.8)
A 34 LYS (61.0, 104.9)
A 43 PRO (-5.7, -124.0)
A 49 ASP (66.6, 30.9)
J 157 VAL (-94.8, -95.7)
K 86 ALA (-9.1, 125.0)
L 21 GLY (64.5, -36.8)
L 434 HIS (-109.3, -87.7)
L 435 PRO (-108.6, -59.2)
L 478 ALA (89.4, 42.0)
L 515 LYS (89.8, -31.0)
M 42 THR (99.1, 5.2)
M 44 PRO (-81.5, -46.0)
M 57 PRO (-20.4, -47.4)
M 347 LEU (20.2, -52.1)
N 338 PRO (-98.3, 70.5)
N 425 ALA (-46.0, -18.3)
H 70 GLU (91.1, 106.9)
H 216 ARG (96.6, 150.5)
H 217 THR (86.3, -5.7)
H 218 PRO (-107.2, -74.8)
H 232 TYR (123.4, -59.5)
H 234 THR (102.0, -14.7)
H 238 SER (-77.1, -95.4)
0
H
H
B
B
C
D
E
E
G
G
O
X
P
P
P
R
S
T
T
T
T
T
U
U
U
U
V
V
Q
Q
Q
Q
Q
Q
Q
Q
Q
Phi
180
-180
0
332 LEU (-37.7, -108.1)
333 PRO (-118.8, 173.6)
5 ILE (98.3, 81.2)
360 ARG (-43.7, -73.7)
6 ASP (-27.1, -69.9)
117 LEU (84.3, 43.2)
33 GLN (98.5, -24.2)
35 PRO (-100.0, 98.4)
58 ASN (-174.5, 13.9)
61 ALA (120.1, 58.4)
23 THR (138.5, 164.0)
37 TRP (85.9, 99.9)
34 LYS (61.0, 105.0)
43 PRO (-5.5, -124.3)
49 ASP (66.6, 30.8)
157 VAL (-95.1, -95.4)
86 ALA (-9.3, 125.2)
21 GLY (64.6, -36.9)
434 HIS (-109.3, -87.9)
435 PRO (-108.6, -59.2)
478 ALA (89.6, 42.1)
515 LYS (89.1, -29.5)
42 THR (99.2, 5.3)
44 PRO (-81.8, -46.1)
57 PRO (-20.6, -47.3)
347 LEU (20.1, -51.5)
338 PRO (-98.1, 70.4)
425 ALA (-46.0, -18.7)
70 GLU (90.6, 106.8)
216 ARG (96.4, 150.5)
217 THR (86.5, -6.3)
218 PRO (-107.2, -74.7)
232 TYR (123.3, -59.7)
234 THR (101.9, -14.7)
238 SER (-76.9, -95.4)
332 LEU (-37.6, -108.1)
333 PRO (-118.8, 173.3)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)