Ramachandran Plots

Transcription

Ramachandran Plots
MolProbity Ramachandran analysis
1XC0, all models
General case
180
Isoleucine and valine
180
Psi
Psi
0
0
[13]
ALA
[19]
[2]
4444
ALA
[6]
[7]
[14]
ALA
[1]
[5]
[10]
[11]
[16]
4ALA
ALA
ALA
[9] 4
32
GLN
[20]
4
ALA
[4]
[9]
[8]
[18]
4414
ALA
ALA
ALA
[3]
[12]
[17]
44
ALA
[15]
414
ALA
[13]
14
LEU
[4]
[10]
14
LEU
LEU
[12]
[14]
14
LEU
LEU
[3]
[2] 14
14
LEU
LEU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
0
180
Glycine
180
Psi
Phi
Psi
[15] 31 GLY
[14] 30
30 GLY
GLY
[15]
0
0
[2] 30
[18]
30 GLY
GLY
[3]
GLY
[11]30 30
GLY
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Psi
0
0
-180
180
Phi
180
-180
-180
69.2% (429/620) of all residues were in favored (98%) regions.
94.4% (585/620) of all residues were in allowed (>99.8%) regions.
There were 35 outliers (phi, psi):
[1] 4 ALA (-173.1, -48.2)
[2] 4 ALA (-173.7, -44.6)
[2] 14 LEU (-161.7, -60.2)
Phi
Cis proline
180
Psi
0
0
[10]
[10]
[11]
[11]
[12]
[12]
[13]
Phi
180
-180
0
4 ALA (-172.5, -48.1)
14 LEU (-167.5, -59.0)
4 ALA (-172.5, -48.2)
30 GLY (-168.6, -75.2)
4 ALA (-173.6, -55.1)
14 LEU (-175.8, -59.9)
4 ALA (-172.5, -43.9)
[2]
[3]
[3]
[3]
[4]
[4]
[5]
[6]
[7]
30 GLY (-153.4, -57.2)
4 ALA (-173.6, -55.5)
14 LEU (-162.3, -60.7)
30 GLY (-173.7, -73.3)
4 ALA (-173.3, -54.8)
14 LEU (-168.5, -58.8)
4 ALA (-172.7, -48.2)
4 ALA (-173.0, -47.7)
4 ALA (-172.5, -47.7)
[13] 14 LEU (-162.1, -57.6)
[14] 4 ALA (-172.6, -47.3)
[14] 14 LEU (-171.2, -59.9)
[14] 30 GLY (168.8, 57.0)
[15] 4 ALA (-172.5, -56.1)
[15] 30 GLY (165.4, 53.5)
[15] 31 GLY (137.0, 63.7)
[16] 4 ALA (-172.4, -48.1)
[17] 4 ALA (-172.7, -55.2)
[8]
[9]
[9]
4 ALA (-172.4, -54.2)
4 ALA (-173.1, -54.5)
32 GLN (-167.0, -51.6)
[18]
[18]
[19]
[20]
4 ALA (-172.4, -54.3)
30 GLY (-157.1, -60.1)
4 ALA (-175.0, -44.4)
4 ALA (-173.7, -54.0)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 1
General case
180
Psi
Psi
0
0
[1]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
74.2% (23/31) of all residues were in favored (98%) regions.
96.8% (30/31) of all residues were in allowed (>99.8%) regions.
There were 1 outliers (phi, psi):
[1] 4 ALA (-173.1, -48.2)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 2
General case
180
Psi
Psi
0
0
[2]
Isoleucine and valine
180
4 ALA
[2] 14 LEU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
0
Psi
0
0
180
Phi
180
Phi
180
Glycine
180
Psi
Phi
[2] 30 GLY
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
67.7% (21/31) of all residues were in favored (98%) regions.
90.3% (28/31) of all residues were in allowed (>99.8%) regions.
There were 3 outliers (phi, psi):
[2] 4 ALA (-173.7, -44.6)
[2] 14 LEU (-161.7, -60.2)
[2]
30 GLY (-153.4, -57.2)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 3
General case
180
Isoleucine and valine
180
Psi
Psi
0
0
[3][3] 4 14
ALA
LEU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
0
Psi
0
0
180
Phi
180
Phi
180
Glycine
180
Psi
Phi
[3] 30 GLY
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
64.5% (20/31) of all residues were in favored (98%) regions.
90.3% (28/31) of all residues were in allowed (>99.8%) regions.
There were 3 outliers (phi, psi):
[3] 4 ALA (-173.6, -55.5)
[3] 14 LEU (-162.3, -60.7)
[3]
30 GLY (-173.7, -73.3)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 4
General case
180
Isoleucine and valine
180
Psi
Psi
0
0
[4]
[4] 414ALA
LEU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
67.7% (21/31) of all residues were in favored (98%) regions.
93.5% (29/31) of all residues were in allowed (>99.8%) regions.
There were 2 outliers (phi, psi):
[4] 4 ALA (-173.3, -54.8)
[4] 14 LEU (-168.5, -58.8)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 5
General case
180
Psi
Psi
0
0
[5]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
74.2% (23/31) of all residues were in favored (98%) regions.
96.8% (30/31) of all residues were in allowed (>99.8%) regions.
There were 1 outliers (phi, psi):
[5] 4 ALA (-172.7, -48.2)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 6
General case
180
Psi
Psi
0
0
[6]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
67.7% (21/31) of all residues were in favored (98%) regions.
96.8% (30/31) of all residues were in allowed (>99.8%) regions.
There were 1 outliers (phi, psi):
[6] 4 ALA (-173.0, -47.7)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 7
General case
180
Psi
Psi
0
0
[7]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
67.7% (21/31) of all residues were in favored (98%) regions.
96.8% (30/31) of all residues were in allowed (>99.8%) regions.
There were 1 outliers (phi, psi):
[7] 4 ALA (-172.5, -47.7)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 8
General case
180
Psi
Psi
0
0
[8]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
67.7% (21/31) of all residues were in favored (98%) regions.
96.8% (30/31) of all residues were in allowed (>99.8%) regions.
There were 1 outliers (phi, psi):
[8] 4 ALA (-172.4, -54.2)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 9
General case
180
Isoleucine and valine
180
Psi
Psi
0
0
[9] 432
GLN
[9]
ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
64.5% (20/31) of all residues were in favored (98%) regions.
93.5% (29/31) of all residues were in allowed (>99.8%) regions.
There were 2 outliers (phi, psi):
[9] 4 ALA (-173.1, -54.5)
[9] 32 GLN (-167.0, -51.6)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 10
General case
180
Isoleucine and valine
180
Psi
Psi
0
0
[10] 4 ALA
[10] 14 LEU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
71.0% (22/31) of all residues were in favored (98%) regions.
93.5% (29/31) of all residues were in allowed (>99.8%) regions.
There were 2 outliers (phi, psi):
[10] 4 ALA (-172.5, -48.1)
[10] 14 LEU (-167.5, -59.0)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 11
General case
180
Psi
Psi
0
0
[11]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
0
Psi
0
0
180
Phi
180
Phi
180
Glycine
180
Psi
Phi
[11] 30 GLY
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
67.7% (21/31) of all residues were in favored (98%) regions.
93.5% (29/31) of all residues were in allowed (>99.8%) regions.
There were 2 outliers (phi, psi):
[11] 4 ALA (-172.5, -48.2)
[11] 30 GLY (-168.6, -75.2)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 12
General case
180
Isoleucine and valine
180
Psi
Psi
0
0
[12] 14
4 ALA
[12]
LEU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
71.0% (22/31) of all residues were in favored (98%) regions.
93.5% (29/31) of all residues were in allowed (>99.8%) regions.
There were 2 outliers (phi, psi):
[12] 4 ALA (-173.6, -55.1)
[12] 14 LEU (-175.8, -59.9)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 13
General case
180
Isoleucine and valine
180
Psi
Psi
0
0
[13] 4 ALA
[13] 14 LEU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
71.0% (22/31) of all residues were in favored (98%) regions.
93.5% (29/31) of all residues were in allowed (>99.8%) regions.
There were 2 outliers (phi, psi):
[13] 4 ALA (-172.5, -43.9)
[13] 14 LEU (-162.1, -57.6)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 14
General case
180
Isoleucine and valine
180
Psi
Psi
0
0
[14] 4 ALA
[14] 14 LEU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Phi
180
Glycine
180
Psi
0
Psi
[14] 30 GLY
0
0
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Cis proline
180
Psi
0
-180
-180
0
Phi
180
-180
0
74.2% (23/31) of all residues were in favored (98%) regions.
90.3% (28/31) of all residues were in allowed (>99.8%) regions.
There were 3 outliers (phi, psi):
[14] 4 ALA (-172.6, -47.3)
[14] 14 LEU (-171.2, -59.9)
[14] 30 GLY (168.8, 57.0)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 15
General case
180
Psi
Psi
0
0
[15]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Phi
180
Glycine
180
Psi
0
Psi
[15] 31 GLY
[15] 30 GLY
0
0
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Cis proline
180
Psi
0
-180
-180
0
Phi
180
-180
0
67.7% (21/31) of all residues were in favored (98%) regions.
90.3% (28/31) of all residues were in allowed (>99.8%) regions.
There were 3 outliers (phi, psi):
[15] 4 ALA (-172.5, -56.1)
[15] 30 GLY (165.4, 53.5)
[15] 31 GLY (137.0, 63.7)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 16
General case
180
Psi
Psi
0
0
[16]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
74.2% (23/31) of all residues were in favored (98%) regions.
96.8% (30/31) of all residues were in allowed (>99.8%) regions.
There were 1 outliers (phi, psi):
[16] 4 ALA (-172.4, -48.1)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 17
General case
180
Psi
Psi
0
0
[17]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
71.0% (22/31) of all residues were in favored (98%) regions.
96.8% (30/31) of all residues were in allowed (>99.8%) regions.
There were 1 outliers (phi, psi):
[17] 4 ALA (-172.7, -55.2)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 18
General case
180
Psi
Psi
0
0
[18]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
0
Psi
0
0
180
Phi
180
Phi
180
Glycine
180
Psi
Phi
[18] 30 GLY
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
67.7% (21/31) of all residues were in favored (98%) regions.
93.5% (29/31) of all residues were in allowed (>99.8%) regions.
There were 2 outliers (phi, psi):
[18] 4 ALA (-172.4, -54.3)
[18] 30 GLY (-157.1, -60.1)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 19
General case
180
Psi
Psi
0
0
[19]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
67.7% (21/31) of all residues were in favored (98%) regions.
96.8% (30/31) of all residues were in allowed (>99.8%) regions.
There were 1 outliers (phi, psi):
[19] 4 ALA (-175.0, -44.4)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
1XC0, model 20
General case
180
Psi
Psi
0
0
[20]
Isoleucine and valine
180
4 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Phi
180
Phi
180
Glycine
180
Psi
0
-180
-180
0
Phi
180
Trans proline
180
-180
Cis proline
180
Psi
Psi
0
0
-180
0
-180
-180
0
Phi
180
-180
0
64.5% (20/31) of all residues were in favored (98%) regions.
96.8% (30/31) of all residues were in allowed (>99.8%) regions.
There were 1 outliers (phi, psi):
[20] 4 ALA (-173.7, -54.0)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)