Ramachandran Plots

Transcrição

Ramachandran Plots
MolProbity Ramachandran analysis
2MPH, all models
General case
180
Psi
[19]
17
SER
[16]
17
SER
[7]
17
SER
[9]
17
SER
[18]
17
SER
[4]
SER
[20]
[2]
[6]
[3] 17
[17]
44
44
44
44
LEU
LEU
LEU
LEU
[3]
[12] 3434SER
SER
[1]
[10]102
98GLU
THR
[1] 3
3 ALA
ALA
[9]
[18]
8ARG
ARG
[2]
8ASN
[19]
[15]
[20]
[12]
75
8
THR
ARG
ARG
[10]
[14]
87
[1]
157
[4]
ARG
[5]
ARG
[6]
[15]
888LYS
ARG
ARG
Isoleucine and valine
180
[3]
4103
ALA
[8]
100
SER
[7]
[13]
83
77
98
GLU
SER
THR
THR
[17]
GLU
[18]
93
ASP
[7]
[13]
[19]
84
77
2ALA
GLN
ALA
SER
[4]
[15]
392
90
LEU
[5]
96
LYS
[10]
GLN
[1]
9284GLU
[10]
[20] 76
83 GLU
GLU
[20]
96 THR
LYS
[7] 103
[3] 80
79
SER
[15]
104
80LYS
LYS
LEU
[2]
[5]
[8]
[20]
79
91
84
SER
ASN
GLN
84
90
GLN
LEU
[3]
[10]
[12]
[18]
104
91
104
102
100
80
ASN
LEU
LYS
LEU
GLU
SER
[2]
[6]
[20]
75
97
91
THR
GLU
ASN
[10]
90
LEU
[16]
[16]
87
96
ASN
LYS
[5]
[11]
[11]90
75
104
82
THR
SER
LEU
[12]
[14]
90
98
LEU
THR
[20]
80
LYS
[1]
[15]
92
LEU
GLU
[2]
[9]
100
84
GLN
SER
[20]
3
ALA
[3]
87
ASN
[2]
[17]
4
104
ALA
LEU
[10]
[19]
75 104
THR
103
THR
[10][19]
211
ASNLEU
[11] 78 ILE
[16] 88 VAL
[7] 88 VAL
[16] 85 VAL
[20] 444ALA
4ALA
ALA
[10]
[6]
[14]
ALA
[4] 4 ALA
[17]
[6]
81
81VAL
VAL
[18]85
VAL
[9]
[4]
8885
VAL
VAL
[7] 85 VAL
Psi
[1] 85
88VAL
VAL
[2]
[15] 158 ASN
[5] 93
3 ALA
[8]
ASP
[17] 156 LYS
0
0
[3]
[9]
106
99
LYS
GLU
[2]
[5]
[8]
[11]
[12]
[13]
[14]
[19]
[20]
[2]
[5]
[15]
96
99
93
76
90
76
83
97
93
87
76
LYS
ASP
LEU
GLU
ASN
GLU
[3]
[4]
[9]
[13]
105
89
89
98
105
LYS
LYS
THR
ASP
ASP
[1]
[6]
101
89
LYS
GLU
[14]
[4]
122
76
GLU
THR
[17]
[6]
[12]
[17]
[19]
122
106
122
THR
GLU
THR
[8]
[13]
[14]
[10]
[18]
122
122
122
82
ASP
SER
THR
THR
THR
[6] 105
82
SER
[11]
[2]
[6]
7881
VAL
ILE
[11]
[10]85
[16]
78
VAL
ILE
[2]
[10]
[17] 197
197
197ALA
ALA
ALA
[9]
[16]
[1] 100
76
99
83GLU
LYS
GLU
[2]
[10]
[12]
[6]
[18]
[20]
106
106
106
99
SER
GLU
LYS
GLU
GLU
[10]
[9] 75
75THR
THR
[10]
3 ALA
[10] 86
LYS
[20] 17 SER
-180
-180
0
Phi
180
Pre-proline
180
[1] 78 ILE
-180
-180
Phi
180
Glycine
180
Psi
0
Psi
[14] 107 GLY
[3] 107 GLY
[8] 107[12]
GLY107 GLY
[17]
[5][18]
107
107107
GLY
GLY
[20]
GLY
[4]107
107
GLY
[18] 74 GLY
0
0
[15] 74 GLY
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Psi
Psi
0
0
Phi
180
Phi
180
Cis proline
180
[3] 109 PRO
0
[10] 109 PRO
[6]
109
PRO
[17]
109
PRO
[1]
[18]
109
PRO
[9]109
[13]
109
109
PRO
PRO
[8]
[7]
109
PRO
PRO
[2]
95 PRO
[2] 109
PRO
-180
-180
84.6% (3755/4440) of all residues were in favored (98%) regions.
95.7% (4247/4440) of all residues were in allowed (>99.8%) regions.
There were 193 outliers (phi, psi):
[1] 3 ALA (-175.3, 76.0)
[1] 78 ILE (45.1, -171.1)
[1] 88 VAL (63.8, 91.0)
[1] 89 LYS (-173.7, -41.7)
[1] 90 LEU (56.8, 100.4)
180
-180
0
[10] 99 LYS (62.5, -80.8)
[10] 102 GLU (60.1, 109.6)
[10] 104 LEU (60.4, 93.1)
[10] 109 PRO (-49.4, -71.8)
[10] 197 ALA (-164.6, -77.5)
[1] 92 GLU (62.6, 145.0)
[1] 99 LYS (64.5, -79.7)
[1] 102 GLU (-176.6, 92.7)
[1] 109 PRO (-57.2, -160.6)
[1] 157 LYS (-59.9, 94.5)
[10] 211 ASN (42.1, 88.8)
[11] 76 GLU (-177.5, -39.5)
[11] 78 ILE (60.1, 158.7)
[11] 81 VAL (-158.7, -44.6)
[11] 82 SER (61.7, 103.3)
[11] 85 VAL (-167.5, -42.9)
[11] 104 LEU (60.3, 103.8)
[12] 8 ARG (-49.0, 96.3)
[12] 34 SER (-31.9, 152.5)
[12] 80 LYS (60.1, 109.3)
[12] 83 GLU (-177.9, -39.3)
[12] 93 ASP (-177.1, -39.8)
[12] 98 THR (60.6, 102.9)
[12] 106 GLU (62.5, -81.0)
[12] 107 GLY (169.9, 81.0)
[12] 122 THR (-164.0, -43.6)
[13] 77 SER (61.4, 154.7)
[2] 100 SER (62.8, -80.6)
[2] 109 PRO (-52.3, -176.1)
[2] 197 ALA (-162.8, -77.0)
[3] 4 ALA (59.3, 163.6)
[3] 34 SER (-33.7, 156.1)
[3] 44 LEU (-47.8, 170.3)
[13] 83 GLU (-177.6, -39.4)
[13] 97 GLU (-177.1, -39.8)
[13] 98 THR (60.4, 158.4)
[13] 103 THR (60.2, 158.7)
[13] 105 ASP (-174.9, -40.4)
[13] 109 PRO (-56.7, -162.6)
[3] 79 SER (62.0, 116.5)
[3] 87 ASN (60.9, 97.7)
[3] 89 LYS (-174.3, -40.5)
[3] 91 ASN (59.9, 109.4)
[3] 104 LEU (59.6, 109.3)
[3] 106 GLU (-179.9, -38.5)
[13] 122 THR (-164.4, -44.1)
[14] 4 ALA (166.0, 85.6)
[14] 8 ARG (-48.9, 95.3)
[14] 76 GLU (-169.0, -42.2)
[14] 90 LEU (60.3, 102.5)
[14] 97 GLU (-177.7, -39.3)
[3] 107 GLY (158.8, 92.2)
[3] 109 PRO (-51.5, 179.1)
[4] 3 ALA (61.9, 152.2)
[4] 4 ALA (168.3, 76.5)
[4] 8 ARG (-49.3, 93.6)
[14] 107 GLY (59.0, 91.7)
[14] 122 THR (-162.1, -44.0)
[15] 8 ARG (-52.3, 89.4)
[15] 74 GLY (179.9, -85.0)
[15] 75 THR (-57.1, 96.2)
[4] 17 SER (-53.4, 173.7)
[4] 88 VAL (63.5, 109.1)
[4] 98 THR (-175.0, -40.4)
[4] 107 GLY (164.4, 62.3)
[4] 122 THR (-167.7, -42.7)
[5] 3 ALA (-174.3, 40.6)
[15] 76 GLU (-177.0, -39.5)
[15] 80 LYS (61.3, 113.8)
[15] 90 LEU (61.8, 152.0)
[15] 92 GLU (60.4, 100.7)
[15] 104 LEU (61.3, 113.2)
[15] 158 ASN (-176.5, 46.2)
[5] 8 ARG (-50.8, 92.7)
[5] 75 THR (56.3, 103.8)
[5] 76 GLU (-176.9, -39.7)
[5] 84 GLN (60.5, 110.4)
[5] 91 ASN (60.8, 111.6)
[5] 93 ASP (-177.6, -39.5)
[16] 17 SER (-54.6, 178.6)
[16] 78 ILE (-157.5, -44.4)
[16] 83 GLU (63.8, -80.0)
[16] 85 VAL (64.0, 133.1)
[16] 87 ASN (56.7, 104.3)
[16] 88 VAL (63.9, 151.1)
[5] 96 LYS (62.0, 151.3)
[5] 107 GLY (136.4, 70.0)
[6] 4 ALA (163.2, 86.5)
[6] 8 ARG (-52.6, 89.9)
[6] 44 LEU (-48.0, 170.5)
[16] 96 LYS (60.7, 104.1)
[17] 44 LEU (-47.1, 170.8)
[17] 77 SER (60.4, 158.0)
[17] 81 VAL (62.1, 116.6)
[17] 92 GLU (60.6, 157.7)
[6] 78 ILE (-159.5, -42.6)
[6] 81 VAL (63.9, 116.6)
[6] 82 SER (-160.9, -48.7)
[6] 97 GLU (59.3, 108.0)
[6] 101 GLU (-172.2, -41.4)
[6] 106 GLU (63.8, -80.2)
[17] 104 LEU (59.9, 96.1)
[17] 106 GLU (-165.1, -43.4)
[17] 107 GLY (133.6, 69.5)
[17] 109 PRO (-57.4, -159.5)
[17] 122 THR (-163.6, -43.6)
[17] 156 LYS (-166.9, 32.0)
[6] 109 PRO (-57.8, -158.3)
[6] 122 THR (-164.3, -43.4)
[7] 17 SER (-50.8, 177.3)
[7] 83 GLU (60.8, 158.7)
[7] 84 GLN (61.2, 154.8)
[7] 85 VAL (-165.9, 102.9)
[17] 197 ALA (-162.7, -77.5)
[18] 8 ARG (-49.3, 99.4)
[18] 17 SER (-49.4, 176.0)
[18] 74 GLY (174.0, 38.7)
[18] 85 VAL (63.5, 111.7)
[18] 90 LEU (60.5, 110.8)
[7] 88 VAL (63.8, 141.1)
[7] 103 THR (63.6, 126.5)
[7] 109 PRO (-63.9, -166.7)
[8] 80 LYS (60.7, 111.0)
[8] 93 ASP (-177.4, 38.0)
-180
Phi
[10] 86 LYS (-59.3, -172.2)
[10] 87 ASN (-61.2, 95.3)
[10] 90 LEU (58.6, 106.9)
[10] 98 THR (-175.7, 87.2)
[2] 4 ALA (59.3, 96.8)
[2] 8 ARG (-48.6, 98.6)
[2] 44 LEU (-48.8, 170.3)
[2] 75 THR (57.9, 107.4)
[2] 76 GLU (-176.0, -40.0)
[2] 78 ILE (-159.0, -42.6)
[2] 79 SER (60.6, 111.1)
[2] 84 GLN (59.3, 99.0)
[2] 85 VAL (59.3, 88.4)
[2] 89 LYS (-175.7, -40.1)
[2] 95 PRO (-53.5, -172.8)
[2] 96 LYS (-177.3, -39.6)
0
[18] 93 ASP (61.8, 155.5)
[18] 100 SER (60.6, 109.5)
[18] 104 LEU (60.0, 109.5)
[18] 106 GLU (63.7, -80.3)
[18] 107 GLY (147.4, 66.8)
[8] 99 LYS (-177.7, -39.4)
[8] 100 SER (60.7, 159.2)
[8] 105 ASP (-164.3, -44.2)
[8] 107 GLY (136.6, 77.7)
[8] 109 PRO (-64.3, -166.2)
[9] 3 ALA (-175.6, 73.1)
[18] 109 PRO (-57.4, -160.9)
[18] 122 THR (-160.6, -44.8)
[19] 2 ALA (61.1, 155.0)
[19] 8 ARG (-49.9, 97.4)
[19] 17 SER (-52.0, 179.5)
[19] 75 THR (43.0, 92.8)
[9] 17 SER (-55.0, 176.6)
[9] 75 THR (52.3, -87.5)
[9] 76 GLU (63.9, -80.0)
[9] 85 VAL (59.9, 109.5)
[9] 99 LYS (-178.9, -39.0)
[19] 90 LEU (-177.6, -39.5)
[19] 103 THR (60.3, 92.4)
[19] 122 THR (-163.1, -43.5)
[20] 3 ALA (60.0, 98.7)
[20] 4 ALA (167.1, 89.6)
[9] 100 SER (59.9, 99.8)
[9] 105 ASP (-174.9, -40.6)
[9] 109 PRO (-56.9, -162.2)
[10] 3 ALA (-60.8, -168.1)
[10] 4 ALA (161.7, 87.2)
[10] 75 THR (51.6, -87.8)
[20] 8 ARG (-49.1, 96.0)
[20] 17 SER (-56.4, -179.7)
[20] 44 LEU (-50.8, 170.5)
[20] 80 LYS (61.0, 101.3)
[20] 83 GLU (63.6, 138.7)
[20] 84 GLN (60.7, 111.5)
[10] 76 GLU (63.4, 143.2)
[10] 78 ILE (-157.5, -45.0)
[10] 82 SER (-161.6, -44.7)
[10] 84 GLN (62.8, 147.7)
[20] 87 ASN (-177.5, -39.6)
[20] 91 ASN (60.4, 107.9)
[20] 96 LYS (63.2, 128.1)
[20] 106 GLU (63.7, -80.2)
[20] 107 GLY (148.3, 66.9)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 1
General case
180
Isoleucine and valine
180
[1] 92 GLU
Psi
[1] 102 GLU
[1]
[1] 157 LYS
[1] 90 LEU
Psi
[1] 88 VAL
3 ALA
0
0
[1] 89 LYS
[1] 99 LYS
-180
[1] 78 ILE
-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
0
[1] 109 PRO
-180
-180
-180
0
Phi
180
-180
0
82.9% (184/222) of all residues were in favored (98%) regions.
95.5% (212/222) of all residues were in allowed (>99.8%) regions.
There
[1]
[1]
[1]
[1]
[1]
[1]
[1]
[1]
[1]
[1]
were 10 outliers (phi, psi):
3 ALA (-175.3, 76.0)
78 ILE (45.1, -171.1)
88 VAL (63.8, 91.0)
89 LYS (-173.7, -41.7)
90 LEU (56.8, 100.4)
92 GLU (62.6, 145.0)
99 LYS (64.5, -79.7)
102 GLU (-176.6, 92.7)
109 PRO (-57.2, -160.6)
157 LYS (-59.9, 94.5)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 2
General case
180
[2]
Psi
8 ARG
Isoleucine and valine
180
[2] 44 LEU
[2] 75
79 THR
SER
[2]
[2]
GLN
[2] 84
4 ALA
Psi
0
[2] 85 VAL
0
[2]
[2] 96
76
GLU
89 LYS
LYS
[2] 78 ILE
[2] 197 ALA
[2] 100 SER
-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
Psi
0
0
[2]
95 PRO
[2] 109
PRO
-180
-180
0
Cis proline
180
Psi
0
-180
Phi
180
-180
0
84.7% (188/222) of all residues were in favored (98%) regions.
93.2% (207/222) of all residues were in allowed (>99.8%) regions.
There
[2]
[2]
[2]
[2]
[2]
[2]
[2]
[2]
[2]
[2]
[2]
[2]
[2]
[2]
[2]
were 15 outliers (phi, psi):
4 ALA (59.3, 96.8)
8 ARG (-48.6, 98.6)
44 LEU (-48.8, 170.3)
75 THR (57.9, 107.4)
76 GLU (-176.0, -40.0)
78 ILE (-159.0, -42.6)
79 SER (60.6, 111.1)
84 GLN (59.3, 99.0)
85 VAL (59.3, 88.4)
89 LYS (-175.7, -40.1)
95 PRO (-53.5, -172.8)
96 LYS (-177.3, -39.6)
100 SER (62.8, -80.6)
109 PRO (-52.3, -176.1)
197 ALA (-162.8, -77.0)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 3
General case
180
[3] 44 LEU
[3] 34 SER
[3]
4 ALA
[3] 79 SER
[3] 104
91 ASN
LEU
[3] 87 ASN
Psi
Isoleucine and valine
180
Psi
0
0
[3]
[3] 106
89 GLU
LYS
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Glycine
180
Psi
0
[3] 107 GLY
-180
-180
0
Phi
180
Trans proline
180
-180
Psi
Psi
0
0
-180
Phi
180
Phi
180
Cis proline
180
[3] 109 PRO
0
-180
-180
0
Phi
180
-180
0
84.7% (188/222) of all residues were in favored (98%) regions.
95.0% (211/222) of all residues were in allowed (>99.8%) regions.
There were 11 outliers (phi, psi):
[3] 4 ALA (59.3, 163.6)
[3] 34 SER (-33.7, 156.1)
[3] 44 LEU (-47.8, 170.3)
[3]
[3]
[3]
[3]
[3]
[3]
[3]
79 SER (62.0, 116.5)
87 ASN (60.9, 97.7)
89 LYS (-174.3, -40.5)
91 ASN (59.9, 109.4)
104 LEU (59.6, 109.3)
106 GLU (-179.9, -38.5)
107 GLY (158.8, 92.2)
[3] 109 PRO (-51.5, 179.1)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 4
General case
180
[4]
Isoleucine and valine
180
[4] 17 SER
3 ALA
[4] 88 VAL
Psi
[4]
Psi
8 ARG
[4]
0
4 ALA
0
[4]
THR
[4] 98
122
THR
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Phi
180
Glycine
180
Psi
0
Psi
[4] 107 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
83.3% (185/222) of all residues were in favored (98%) regions.
96.4% (214/222) of all residues were in allowed (>99.8%) regions.
There
[4]
[4]
[4]
[4]
[4]
[4]
[4]
[4]
were 8 outliers (phi, psi):
3 ALA (61.9, 152.2)
4 ALA (168.3, 76.5)
8 ARG (-49.3, 93.6)
17 SER (-53.4, 173.7)
88 VAL (63.5, 109.1)
98 THR (-175.0, -40.4)
107 GLY (164.4, 62.3)
122 THR (-167.7, -42.7)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 5
General case
180
Isoleucine and valine
180
[5] 96 LYS
[5] 84
91 GLN
ASN
[5] 75 THR
Psi
[5]
[5]
Psi
8 ARG
3 ALA
0
0
[5]
[5] 93
76 ASP
GLU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Phi
180
Glycine
180
Psi
0
Psi
[5] 107 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
85.1% (189/222) of all residues were in favored (98%) regions.
95.9% (213/222) of all residues were in allowed (>99.8%) regions.
There
[5]
[5]
[5]
[5]
[5]
[5]
[5]
[5]
[5]
were 9 outliers (phi, psi):
3 ALA (-174.3, 40.6)
8 ARG (-50.8, 92.7)
75 THR (56.3, 103.8)
76 GLU (-176.9, -39.7)
84 GLN (60.5, 110.4)
91 ASN (60.8, 111.6)
93 ASP (-177.6, -39.5)
96 LYS (62.0, 151.3)
107 GLY (136.4, 70.0)
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Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 6
General case
180
Isoleucine and valine
180
[6] 44 LEU
[6] 81 VAL
[6] 97 GLU
Psi
[6]
8 ARG
[6]
0
4 ALA
Psi
0
[6][6]101
GLU
THR
[6] 122
82 SER
[6] 78 ILE
[6] 106 GLU
-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
0
[6] 109 PRO
-180
-180
-180
0
Phi
180
-180
0
82.9% (184/222) of all residues were in favored (98%) regions.
95.0% (211/222) of all residues were in allowed (>99.8%) regions.
There were 11 outliers (phi, psi):
[6] 4 ALA (163.2, 86.5)
[6] 8 ARG (-52.6, 89.9)
[6] 44 LEU (-48.0, 170.5)
[6]
[6]
[6]
[6]
[6]
[6]
[6]
78 ILE (-159.5, -42.6)
81 VAL (63.9, 116.6)
82 SER (-160.9, -48.7)
97 GLU (59.3, 108.0)
101 GLU (-172.2, -41.4)
106 GLU (63.8, -80.2)
109 PRO (-57.8, -158.3)
[6] 122 THR (-164.3, -43.4)
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Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 7
General case
180
Isoleucine and valine
180
[7] 17 SER
[7]
[7] 83
84 GLU
GLN
[7] 88 VAL
[7] 103 THR
Psi
Psi
0
0
-180
[7] 85 VAL
-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
0
[7] 109 PRO
-180
-180
-180
0
Phi
180
-180
0
85.6% (190/222) of all residues were in favored (98%) regions.
96.8% (215/222) of all residues were in allowed (>99.8%) regions.
There
[7]
[7]
[7]
[7]
[7]
[7]
[7]
were 7 outliers (phi, psi):
17 SER (-50.8, 177.3)
83 GLU (60.8, 158.7)
84 GLN (61.2, 154.8)
85 VAL (-165.9, 102.9)
88 VAL (63.8, 141.1)
103 THR (63.6, 126.5)
109 PRO (-63.9, -166.7)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 8
General case
180
Isoleucine and valine
180
[8] 100 SER
[8] 80 LYS
Psi
Psi
[8] 93 ASP
0
0
[8] [8]99 105
LYSASP
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Phi
180
Glycine
180
Psi
0
Psi
[8] 107 GLY
0
0
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Psi
0
0
Phi
180
Phi
180
Cis proline
180
Psi
0
[8] 109 PRO
-180
-180
-180
0
Phi
180
-180
0
86.0% (191/222) of all residues were in favored (98%) regions.
96.8% (215/222) of all residues were in allowed (>99.8%) regions.
There
[8]
[8]
[8]
[8]
[8]
[8]
[8]
were 7 outliers (phi, psi):
80 LYS (60.7, 111.0)
93 ASP (-177.4, 38.0)
99 LYS (-177.7, -39.4)
100 SER (60.7, 159.2)
105 ASP (-164.3, -44.2)
107 GLY (136.6, 77.7)
109 PRO (-64.3, -166.2)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 9
General case
180
Isoleucine and valine
180
[9] 17 SER
[9] 85 VAL
[9] 100 SER
Psi
[9]
Psi
3 ALA
0
0
[9]
[9] 99
105LYS
ASP
[9] 76 GLU
[9] 75 THR
-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
0
[9] 109 PRO
-180
-180
-180
0
Phi
180
-180
0
83.3% (185/222) of all residues were in favored (98%) regions.
95.9% (213/222) of all residues were in allowed (>99.8%) regions.
There
[9]
[9]
[9]
[9]
[9]
[9]
[9]
[9]
[9]
were 9 outliers (phi, psi):
3 ALA (-175.6, 73.1)
17 SER (-55.0, 176.6)
75 THR (52.3, -87.5)
76 GLU (63.9, -80.0)
85 VAL (59.9, 109.5)
99 LYS (-178.9, -39.0)
100 SER (59.9, 99.8)
105 ASP (-174.9, -40.6)
109 PRO (-56.9, -162.2)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 10
General case
180
Isoleucine and valine
180
[10]
[10] 84
76 GLN
GLU
Psi
[10] 98 THR
[10] 87 ASN
[10] 102
GLU
[10]
90 LEU
[10][10]
211 104
ASNLEU
[10]
0
4 ALA
Psi
0
[10] 82 SER
[10] 78 ILE
[10] 197 ALA
[10] 99 LYS
[10] 75 THR
[10]
3 ALA
[10] 86
LYS
-180
-180
0
-180
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
0
[10] 109 PRO
-180
-180
-180
0
Phi
180
-180
0
82.9% (184/222) of all residues were in favored (98%) regions.
92.3% (205/222) of all residues were in allowed (>99.8%) regions.
There were 17 outliers (phi, psi):
[10] 3 ALA (-60.8, -168.1)
[10]
[10]
4 ALA (161.7, 87.2)
75 THR (51.6, -87.8)
[10] 76 GLU (63.4, 143.2)
[10] 78 ILE (-157.5, -45.0)
[10] 82 SER (-161.6, -44.7)
[10] 84 GLN (62.8, 147.7)
[10] 86 LYS (-59.3, -172.2)
[10] 87 ASN (-61.2, 95.3)
[10] 90 LEU (58.6, 106.9)
[10] 98 THR (-175.7, 87.2)
[10] 99 LYS (62.5, -80.8)
[10] 102 GLU (60.1, 109.6)
[10] 104 LEU (60.4, 93.1)
[10] 109 PRO (-49.4, -71.8)
[10] 197 ALA (-164.6, -77.5)
[10] 211 ASN (42.1, 88.8)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 11
General case
180
Isoleucine and valine
180
[11] 78 ILE
[11]
[11] 104
82 SER
LEU
Psi
Psi
0
0
[11] 76 GLU
[11]
VAL
[11] 8581
VAL
-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
85.6% (190/222) of all residues were in favored (98%) regions.
97.3% (216/222) of all residues were in allowed (>99.8%) regions.
There were 6 outliers (phi, psi):
[11] 76 GLU (-177.5, -39.5)
[11] 78 ILE (60.1, 158.7)
[11] 81 VAL (-158.7, -44.6)
[11] 82 SER (61.7, 103.3)
[11] 85 VAL (-167.5, -42.9)
[11] 104 LEU (60.3, 103.8)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 12
General case
180
Isoleucine and valine
180
[12] 34 SER
[12]
Psi
8 ARG
[12] 80 LYS
[12] 98 THR
Psi
0
0
[12][12]
83
93 122
GLU
ASPTHR
[12] 106 GLU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Glycine
180
Psi
0
[12] 107 GLY
-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
85.1% (189/222) of all residues were in favored (98%) regions.
95.9% (213/222) of all residues were in allowed (>99.8%) regions.
There were 9 outliers (phi, psi):
[12] 8 ARG (-49.0, 96.3)
[12] 34 SER (-31.9, 152.5)
[12] 80 LYS (60.1, 109.3)
[12] 83 GLU (-177.9, -39.3)
[12] 93 ASP (-177.1, -39.8)
[12] 98 THR (60.6, 102.9)
[12] 106 GLU (62.5, -81.0)
[12] 107 GLY (169.9, 81.0)
[12] 122 THR (-164.0, -43.6)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 13
General case
180
Isoleucine and valine
180
[13]
98
THR
THR
[13] 103
77 SER
Psi
Psi
0
0
[13]
83
GLU
[13]
105
ASP
[13]97
122
THR
-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
0
[13] 109 PRO
-180
-180
-180
0
Phi
180
-180
0
84.2% (187/222) of all residues were in favored (98%) regions.
96.4% (214/222) of all residues were in allowed (>99.8%) regions.
There were 8 outliers (phi, psi):
[13] 77 SER (61.4, 154.7)
[13] 83 GLU (-177.6, -39.4)
[13] 97 GLU (-177.1, -39.8)
[13] 98 THR (60.4, 158.4)
[13] 103 THR (60.2, 158.7)
[13] 105 ASP (-174.9, -40.4)
[13] 109 PRO (-56.7, -162.6)
[13] 122 THR (-164.4, -44.1)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 14
General case
180
Psi
[14]
8 ARG
Isoleucine and valine
180
[14] 90 LEU
[14]
0
4 ALA
Psi
0
[14]
9776
GLU
[14]
GLU
[14]
122
THR
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
-180
Phi
180
Glycine
180
Psi
0
[14] 107 GLY
-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
87.4% (194/222) of all residues were in favored (98%) regions.
96.8% (215/222) of all residues were in allowed (>99.8%) regions.
There were 7 outliers (phi, psi):
[14] 4 ALA (166.0, 85.6)
[14] 8 ARG (-48.9, 95.3)
[14] 76 GLU (-169.0, -42.2)
[14]
[14]
[14]
[14]
90 LEU (60.3, 102.5)
97 GLU (-177.7, -39.3)
107 GLY (59.0, 91.7)
122 THR (-162.1, -44.0)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 15
General case
180
Isoleucine and valine
180
[15] 90 LEU
[15] 75 THR
[15] 8 ARG
Psi
[15] 104
80 LYS
LEU
[15] 92 GLU
Psi
[15] 158 ASN
0
0
[15] 76 GLU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Psi
0
0
Phi
180
Glycine
180
Psi
0
[15] 74 GLY
-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
85.1% (189/222) of all residues were in favored (98%) regions.
95.9% (213/222) of all residues were in allowed (>99.8%) regions.
There were 9 outliers (phi, psi):
[15] 8 ARG (-52.3, 89.4)
[15] 74 GLY (179.9, -85.0)
[15] 75 THR (-57.1, 96.2)
[15] 76 GLU (-177.0, -39.5)
[15] 80 LYS (61.3, 113.8)
[15] 90 LEU (61.8, 152.0)
[15] 92 GLU (60.4, 100.7)
[15] 104 LEU (61.3, 113.2)
[15] 158 ASN (-176.5, 46.2)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 16
General case
180
Isoleucine and valine
180
[16] 17 SER
[16] 88 VAL
[16] 85 VAL
[16]
[16] 87
96 ASN
LYS
Psi
Psi
0
0
[16] 78 ILE
[16] 83 GLU
-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
84.7% (188/222) of all residues were in favored (98%) regions.
96.8% (215/222) of all residues were in allowed (>99.8%) regions.
There were 7 outliers (phi, psi):
[16] 17 SER (-54.6, 178.6)
[16] 78 ILE (-157.5, -44.4)
[16] 83 GLU (63.8, -80.0)
[16]
[16]
[16]
[16]
85 VAL (64.0, 133.1)
87 ASN (56.7, 104.3)
88 VAL (63.9, 151.1)
96 LYS (60.7, 104.1)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 17
General case
180
Isoleucine and valine
180
[17] 44 LEU
77 GLU
SER
[17] 92
[17] 81 VAL
[17] 104 LEU
Psi
Psi
[17] 156 LYS
0
0
[17]
[17] 106
122 GLU
THR
[17] 197 ALA
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Phi
180
Glycine
180
Psi
0
Psi
[17] 107 GLY
0
0
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Psi
0
0
Phi
180
Phi
180
Cis proline
180
Psi
0
[17] 109 PRO
-180
-180
-180
0
Phi
180
-180
0
85.1% (189/222) of all residues were in favored (98%) regions.
95.0% (211/222) of all residues were in allowed (>99.8%) regions.
There were 11 outliers (phi, psi):
[17] 44 LEU (-47.1, 170.8)
[17] 77 SER (60.4, 158.0)
[17] 81 VAL (62.1, 116.6)
[17]
[17]
[17]
[17]
[17]
[17]
[17]
92 GLU (60.6, 157.7)
104 LEU (59.9, 96.1)
106 GLU (-165.1, -43.4)
107 GLY (133.6, 69.5)
109 PRO (-57.4, -159.5)
122 THR (-163.6, -43.6)
156 LYS (-166.9, 32.0)
[17] 197 ALA (-162.7, -77.5)
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Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 18
General case
180
Isoleucine and valine
180
[18] 17 SER
[18] 93 ASP
[18] 85 VAL
90 LEU
[18] 104
100
LEU
SER
[18]
Psi
8 ARG
Psi
0
0
[18] 122 THR
[18] 106 GLU
-180
-180
-180
0
Phi
180
Pre-proline
180
-180
Phi
180
Glycine
180
Psi
0
Psi
[18] 107 GLY
[18] 74 GLY
0
0
-180
-180
-180
0
Phi
180
Trans proline
180
-180
Psi
0
0
Phi
180
Phi
180
Cis proline
180
Psi
0
[18] 109 PRO
-180
-180
-180
0
Phi
180
-180
0
85.6% (190/222) of all residues were in favored (98%) regions.
94.6% (210/222) of all residues were in allowed (>99.8%) regions.
There were 12 outliers (phi, psi):
[18] 8 ARG (-49.3, 99.4)
[18] 17 SER (-49.4, 176.0)
[18] 74 GLY (174.0, 38.7)
[18] 85 VAL (63.5, 111.7)
[18] 90 LEU (60.5, 110.8)
[18] 93 ASP (61.8, 155.5)
[18] 100 SER (60.6, 109.5)
[18] 104 LEU (60.0, 109.5)
[18] 106 GLU (63.7, -80.3)
[18] 107 GLY (147.4, 66.8)
[18] 109 PRO (-57.4, -160.9)
[18] 122 THR (-160.6, -44.8)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 19
General case
180
[19]
[19]
Psi
8 ARG
Isoleucine and valine
180
[19] 17 SER
2 ALA
Psi
[19][19]
75 THR
103 THR
0
0
[19][19]
90 122
LEUTHR
-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
83.8% (186/222) of all residues were in favored (98%) regions.
96.8% (215/222) of all residues were in allowed (>99.8%) regions.
There were 7 outliers (phi, psi):
[19] 2 ALA (61.1, 155.0)
[19] 8 ARG (-49.9, 97.4)
[19] 17 SER (-52.0, 179.5)
[19]
[19]
[19]
[19]
75 THR (43.0, 92.8)
90 LEU (-177.6, -39.5)
103 THR (60.3, 92.4)
122 THR (-163.1, -43.5)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)
MolProbity Ramachandran analysis
2MPH, model 20
General case
180
Isoleucine and valine
180
[20] 44 LEU
[20] 83 GLU
[20] 96 LYS
[20]
Psi
8 ARG
[20] 84
[20]
91 GLN
ASN
[20] 80
LYS
[20]
3 ALA
[20]
0
4 ALA
Psi
0
[20] 87 ASN
[20] 106 GLU
-180
-180
[20] 17 SER
-180
0
Phi
180
Pre-proline
180
-180
Phi
180
Glycine
180
Psi
0
Psi
[20] 107 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
83.3% (185/222) of all residues were in favored (98%) regions.
94.1% (209/222) of all residues were in allowed (>99.8%) regions.
There were 13 outliers (phi, psi):
[20] 3 ALA (60.0, 98.7)
[20] 4 ALA (167.1, 89.6)
[20] 8 ARG (-49.1, 96.0)
[20] 17 SER (-56.4, -179.7)
[20] 44 LEU (-50.8, 170.5)
[20] 80 LYS (61.0, 101.3)
[20] 83 GLU (63.6, 138.7)
[20] 84 GLN (60.7, 111.5)
[20] 87 ASN (-177.5, -39.6)
[20] 91 ASN (60.4, 107.9)
[20] 96 LYS (63.2, 128.1)
[20] 106 GLU (63.7, -80.2)
[20] 107 GLY (148.3, 66.9)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)

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