Ramachandran Plots

Transcrição

Ramachandran Plots
MolProbity Ramachandran analysis
3LVG, model 1
General case
180
Isoleucine and valine
180
B 1167
SER
A
C 1544
SER
C 1232 VAL
B
A 1231
1231 LEU
LEU
B
A
C 1251
1251 ARG
ARG
B 1091 ASN
B
A
C 1343
1343 VAL
VAL
B 1136 SER
Psi
C 1166 GLU
E 92 ALA
D 160 PHE
A 1281 ASP
F 101 SER
0
A
C
1080
1080
SER
SER
AB
AB
1182
1138
1138
ARG
MET
MET
C 1295 TYR
D 95 LEU
C 1327
1280 PHE
ALA
B
A
C
1327
PHE
A 1091 AASN
1164 ALA
1247ASP
ALA
AA1132
A 1195 ASNB 1194 ASN
C 1165 ARG
B 1195 ASN C 1234 LEU
D 94 ARG A 1194
ASN
B 1247
ALALEU
C 1231
C 1247 ALA
B
A
C 1264
1264
LYS
LYS
BA1164
1165ALA
ARG
D
157
ASP
F
D 156
156
ALA
ALA
1590ASN
ASN
BC1590
C 1149 ASN
A 1590 ASN
F 157 ASP
B
A
1093
1093
ASP
ASP
C
1093
ASP
B 1088 HIS
B 1184 ALA
B
A
C 1429
1429 ARG
ARG
A 1131 ALA
A 1088 HIS
E 107
GLU
95 GLN
LEU
B E1625
C167
1088
HIS
1223
ASN
B
A
1283
1283
LEU
LEU
C
1283
LEU
ASP
B
A
CA
1259
1259
ALA
ALA
CF C
1194
ASN
B
1254
LYS
C
B
A
C
1216
LEU
LEU
FB
103 ARG
A
C1216
1568
1568
ALA
ALA
CB 1200
1168TYR
TYR
B
A
C 1383
1383
1588
THR
THRGLN
ARG BA1168
1594PHE
PHE
B
A
C 1548
1585
1585 GLU
THR
THR
B
A
1548
GLU
B
CA1594
1594
PHE
BA
C
1151
GLU
B
A
C1151
1358
1358GLU
TRP
TRP
B
A
C 1432
1432 HIS
HIS
1145
ASN
A
C1103
1145ASN
ASN
BB
1122
1122
LYS
LYS
A 1588
ARG
B
ACA
1130
1130
LYS
LYS
E
F
D 115
C
115
1547
GLU
GLU
THR
B 1280 ALA
E
D
E
FB
C1424
1147
149
116MET
LEU
ASN
SER
ASN
F
C
A
1625
116
1316
1316
LEU
GLN
MET
MET
B
A
CB
1424
MET
B
A 1547
1547
C 1167
THR
THR SER
B 1246 LYS
A
C1330
1297
1297GLN
GLU
GLU
A 1160 ALA
B
A
CB
1330
GLN
A 1087 GLU
E 94 ARG
A
C 1388 GLU
B
A 1181 ASN
C 1199 GLN
A 1575 ASPC 1092 LEU
C 1106
ALA
HIS
E
FA 1589
112
ARG
C
1589
HIS
C
1147
SER
B 1181 ASN
C 1103 ASN
PHE
C 1135 SERA 1296
C 1137
TYR
F 162 GLN
A 1528
1236
1236 CYS
GLU
GLU
B
D 113 LEU
E
F 113 LEU
-180
Psi
C 1107 VAL
B
A 1278
1278 VAL
VAL
C 1278 VAL
B
A
C 1525
1525 VAL
VAL
A 1198 ILE
0
1121 ILE
VAL
C 1089
A 1121 VAL
B 1121 VAL
B
A
C 1505
1505 ILE
ILE
B
1084
VAL
B
A
C 1408
1408 ILE
ILE
A 1591CILE
1198 ILE
C 1256 VAL
B
A 1141
1141 CVAL
VAL
1591 ILE
B
C 1493
A
1493BILE
ILE
1086 ILE
C 1221
1221 VAL
VAL
BA
-180
-180
0
Phi
180
Pre-proline
180
-180
0
Phi
180
Glycine
180
A 1133 ASP
Psi
B
A
C 1517
1517
GLY
GLYGLY
A 1294
Psi
B 1148 GLY
C 1192 GLY
A 1148 GLY
0
C 1235 GLY
0
E 98 GLU
B
A
C 1345
1345 ILE
ILE
A
C 1596
1596
1596 MET
MET
MET
B
D 98 GLU
F 163
A
B
C 1427
SERGLN
C 1133 ASP
-180
-180
0
Phi
Trans proline
180
-180
180
-180
0
Phi
180
Phi
180
Cis proline
180
C 1193 PRO
B
A
C 1597
1597 PRO
PRO
Psi
Psi
A 1134 PRO
F 99 PRO
D 99 PRO
0
0
C 1134 PRO
A 1193 PRO
B 1193 PRO
F 164 PRO
B
A
C 1382
1382 PRO
PRO
B
A
C 1329
1329 PRO
PRO
B 1105 PRO
A
C 1416
1416 PRO
PRO
A 1105 PRO B
C 1105 PRO
A
B 1579 PRO
C
-180
-180
-180
57.5% (1077/1872) of all residues were in favored (98%) regions.
86.1% (1611/1872) of all residues were in allowed (>99.8%) regions.
B 1424 MET (-55.4, -74.4)
B 1427 SER (11.0, -91.8)
B 1429 ARG (86.3, 34.4)
There were 261 outliers (phi, psi):
A 1080 SER (-161.4, -36.8)
A 1087 GLU (-53.7, -89.8)
A 1088 HIS (-68.3, 26.8)
A 1091 ASN (133.0, 132.4)
A 1093 ASP (-61.7, 47.3)
A 1105 PRO (-138.7, -120.8)
B 1432 HIS (54.6, -49.0)
B 1493 ILE (-171.3, -101.9)
B 1505 ILE (-41.5, -18.9)
B 1517 GLY (20.3, 98.6)
B 1525 VAL (-61.2, 7.3)
B 1528 CYS (78.7, -156.8)
B 1547 THR (2.1, -76.0)
A 1121 VAL (-148.8, -67.6)
A 1122 LYS (6.8, -54.9)
A 1130 LYS (-3.7, -57.8)
A 1131 ALA (40.7, 28.1)
A 1132 ASP (79.6, 125.6)
A 1133 ASP (62.1, 144.3)
A 1134 PRO (-86.2, 87.2)
A 1138 MET (-168.9, -40.8)
A 1141 VAL (-44.6, -71.1)
A 1145 ASN (173.5, -51.2)
C 1080 SER (-161.5, -36.8)
C 1088 HIS (166.1, 6.0)
C 1089 ILE (-170.2, -21.8)
C 1092 LEU (82.7, -109.9)
C 1093 ASP (-20.0, 47.6)
C 1103 ASN (-74.0, -135.5)
C 1105 PRO (-121.5, -131.4)
C 1106 ALA (-68.6, -115.0)
A 1193 PRO (-121.6, -66.1)
A 1194 ASN (18.1, 96.8)
A 1195 ASN (-6.6, 118.2)
A 1198 ILE (-45.8, 2.9)
A 1216 LEU (-52.1, -3.1)
A 1221 VAL (-151.5, -155.0)
A 1231 LEU (127.1, 166.5)
A 1236 GLU (79.2, -155.9)
A 1247 ALA (83.2, 129.2)
A 1251 ARG (113.6, 154.4)
C 1107 VAL (30.9, 94.1)
C 1121 VAL (-170.9, -20.4)
C 1122 LYS (3.7, -54.6)
C 1133 ASP (163.7, -167.5)
C 1134 PRO (-117.3, -7.8)
C 1135 SER (33.6, -139.9)
C 1137 TYR (97.8, -140.4)
C 1145 ASN (173.9, -51.2)
C 1147 SER (-56.9, -124.8)
C 1149 ASN (155.6, 66.0)
180
-180
0
C 1151 GLU (-26.7, -41.0)
C 1165 ARG (65.9, 110.7)
C 1166 GLU (-178.6, 99.6)
C 1167 SER (26.2, -75.5)
C 1192 GLY (139.0, 67.6)
C 1193 PRO (-108.2, 166.8)
C 1194 ASN (154.1, 1.9)
C 1198 ILE (3.0, -60.9)
A 1297 GLU (7.3, -81.1)
A 1316 MET (-47.7, -73.1)
A 1327 PHE (-177.0, -110.7)
A 1329 PRO (-65.0, -93.8)
A 1330 GLN (2.1, -83.5)
A 1343 VAL (178.8, 159.5)
A 1345 ILE (-137.8, -41.7)
A 1358 TRP (-25.3, -41.4)
A 1382 PRO (-51.8, -85.3)
C 1199 GLN (-32.4, -107.2)
C 1200 GLN (-24.0, -21.0)
C 1216 LEU (-52.0, -3.3)
C 1221 VAL (-151.7, -155.1)
C 1223 ASN (165.0, 4.5)
C 1231 LEU (145.8, 84.9)
C 1232 VAL (-41.8, 171.1)
C 1234 LEU (40.8, 101.0)
C 1235 GLY (-11.5, 7.8)
A 1383 THR (-42.6, -21.9)
A 1388 GLU (38.5, -96.0)
A 1408 ILE (-35.7, -31.3)
A 1416 PRO (-75.2, -119.4)
A 1424 MET (-55.2, -74.6)
A 1427 SER (10.9, -91.6)
A 1429 ARG (86.2, 34.4)
A 1432 HIS (54.5, -48.9)
C 1247 ALA (33.4, 78.7)
C 1251 ARG (113.6, 154.2)
C 1254 LYS (-53.8, -1.2)
C 1256 VAL (-39.7, -65.2)
C 1259 ALA (-57.7, 1.2)
C 1264 LYS (81.9, 76.1)
C 1278 VAL (1.6, 41.6)
C 1280 ALA (-175.1, -105.0)
A 1493 ILE (-171.2, -102.1)
A 1505 ILE (-41.6, -18.8)
A 1517 GLY (20.4, 98.7)
A 1525 VAL (-61.1, 7.3)
A 1544 SER (-53.3, 173.2)
A 1547 THR (2.2, -75.9)
A 1548 GLU (-36.5, -31.8)
A 1568 ALA (-49.1, -7.2)
A 1575 ASP (30.7, -114.5)
A 1579 PRO (-72.3, -159.7)
C 1283 LEU (166.5, 3.3)
C 1295 TYR (-166.4, -68.5)
C 1297 GLU (7.2, -81.3)
C 1316 MET (-47.4, -73.0)
C 1327 PHE (-177.0, -110.8)
C 1329 PRO (-64.6, -94.0)
C 1330 GLN (2.2, -83.7)
C 1343 VAL (178.5, 159.3)
C 1345 ILE (-137.7, -41.8)
C 1358 TRP (-25.3, -41.4)
A 1585 THR (-35.4, -30.8)
A 1588 ARG (-17.8, -55.5)
A 1589 HIS (-85.2, -117.4)
A 1590 ASN (-31.5, 61.8)
A 1591 ILE (-26.6, -56.2)
A 1594 PHE (176.3, -28.3)
A 1596 MET (-171.5, -56.6)
A 1597 PRO (19.3, 131.0)
C 1382 PRO (-52.0, -85.3)
C 1383 THR (-42.6, -21.9)
C 1388 GLU (38.7, -95.9)
C 1408 ILE (-35.6, -31.4)
C 1416 PRO (-75.3, -119.3)
C 1424 MET (-55.1, -74.8)
C 1427 SER (11.1, -91.6)
C 1429 ARG (86.2, 34.7)
B 1080 SER (-161.4, -36.9)
B 1084 VAL (-41.0, -21.5)
B 1086 ILE (-140.3, -104.2)
B 1088 HIS (-69.8, 42.3)
B 1091 ASN (166.5, 152.0)
B 1093 ASP (-61.7, 47.3)
B 1103 ASN (167.8, -53.8)
B 1105 PRO (-92.4, -100.2)
B 1121 VAL (177.3, -0.4)
C 1432 HIS (54.2, -48.7)
C 1493 ILE (-171.3, -101.9)
C 1505 ILE (-41.7, -18.8)
C 1517 GLY (20.6, 98.6)
C 1525 VAL (-61.0, 7.5)
C 1544 SER (-53.2, 173.4)
C 1547 THR (1.6, -67.1)
C 1568 ALA (-49.1, -7.2)
C 1579 PRO (-72.1, -160.1)
B 1130 LYS (-3.6, -58.0)
B 1136 SER (-24.6, 138.5)
B 1138 MET (-168.9, -40.7)
B 1141 VAL (-44.8, -71.0)
B 1145 ASN (173.7, -51.0)
B 1147 SER (-50.4, -72.5)
B 1148 GLY (-175.4, 70.7)
B 1151 GLU (-29.8, -40.6)
B 1164 ALA (164.6, 76.0)
Phi
B 1548 GLU (-36.6, -31.7)
B 1568 ALA (-49.3, -7.1)
B 1579 PRO (-71.9, -159.9)
B 1585 THR (-35.3, -30.8)
B 1588 ARG (-20.1, -21.2)
B 1590 ASN (-65.0, 67.4)
B 1594 PHE (171.1, -31.1)
B 1596 MET (-171.9, -57.1)
B 1597 PRO (19.6, 130.8)
B 1625 GLN (-57.2, 12.3)
A 1148 GLY (159.6, 30.0)
A 1151 GLU (-26.6, -40.9)
A 1160 ALA (-44.5, -82.5)
A 1164 ALA (167.4, 132.1)
A 1165 ARG (170.4, 74.1)
A 1168 TYR (49.5, -20.8)
A 1181 ASN (169.4, -104.0)
A 1182 ARG (-171.1, -40.8)
A 1254 LYS (-54.4, -0.3)
A 1259 ALA (-57.8, 1.3)
A 1264 LYS (81.8, 76.3)
A 1278 VAL (1.2, 70.6)
A 1281 ASP (-170.1, 9.1)
A 1283 LEU (112.1, 3.4)
A 1294 GLY (37.4, 93.3)
A 1296 PHE (84.6, -136.1)
0
C 1585 THR (-35.3, -30.9)
C 1589 HIS (-55.7, -120.2)
C 1590 ASN (-60.3, 68.2)
C 1591 ILE (-11.5, -72.0)
C 1594 PHE (172.3, -31.7)
C 1596 MET (-169.6, -56.3)
C 1597 PRO (19.2, 130.3)
C 1625 GLN (-49.6, -73.8)
D 94 ARG (-45.1, 96.1)
B 1167 SER (-40.7, 178.7)
B 1168 TYR (45.5, -20.4)
B 1181 ASN (151.6, -129.5)
B 1184 ALA (-13.3, 34.8)
B 1193 PRO (-121.5, -77.7)
B 1194 ASN (50.2, 115.3)
B 1195 ASN (-19.8, 104.1)
B 1216 LEU (-52.4, -3.0)
B 1221 VAL (-153.8, -158.9)
D 95 LEU (-168.6, -73.2)
D 98 GLU (-157.6, -62.1)
D 99 PRO (-63.4, 11.7)
D 113 LEU (-4.0, -157.5)
D 115 GLU (-12.6, -67.3)
D 116 LEU (-49.4, -72.9)
D 149 ASN (-49.0, -72.7)
D 156 ALA (93.7, 71.6)
D 157 ASP (4.8, 73.0)
B 1231 LEU (127.2, 166.4)
B 1236 GLU (79.3, -156.0)
B 1246 LYS (166.7, -75.5)
B 1247 ALA (125.3, 85.4)
B 1251 ARG (113.6, 154.2)
B 1254 LYS (-53.9, -0.9)
B 1259 ALA (-57.4, 1.1)
B 1264 LYS (81.9, 76.1)
B 1278 VAL (1.2, 71.1)
D 160 PHE (-173.4, 23.1)
E 92 ALA (-167.4, 39.0)
E 94 ARG (67.0, -90.1)
E 95 LEU (-48.0, 13.3)
E 98 GLU (-124.8, -28.8)
E 107 GLU (-66.6, 17.4)
E 112 ARG (-86.4, -118.4)
E 113 LEU (41.7, -161.4)
E 115 GLU (-12.3, -67.4)
B 1280 ALA (123.5, -71.6)
B 1283 LEU (111.9, 3.3)
B 1297 GLU (7.2, -81.2)
B 1316 MET (-47.5, -73.1)
B 1327 PHE (-176.9, -110.7)
B 1329 PRO (-65.1, -93.8)
B 1330 GLN (2.1, -83.5)
B 1343 VAL (178.8, 159.6)
B 1345 ILE (-137.6, -41.8)
E 116 LEU (-49.4, -73.0)
E 149 ASN (-48.9, -72.6)
F 99 PRO (-63.4, 30.1)
F 101 SER (-167.9, 0.4)
F 103 ARG (-50.5, -6.5)
F 112 ARG (-86.2, -118.3)
F 113 LEU (41.7, -161.1)
F 115 GLU (-12.6, -67.2)
F 116 LEU (-49.5, -73.0)
B 1358 TRP (-25.2, -41.5)
B 1382 PRO (-51.8, -85.1)
B 1383 THR (-42.7, -21.9)
B 1388 GLU (38.6, -96.1)
B 1408 ILE (-35.5, -31.4)
B 1416 PRO (-75.1, -119.4)
F 149 ASN (-48.8, -72.8)
F 156 ALA (93.9, 71.7)
F 157 ASP (9.6, 59.2)
F 162 GLN (-71.2, -151.3)
F 163 GLN (32.9, -89.3)
F 164 PRO (-39.8, -71.7)
F 167 ASP (156.9, 2.2)
http://kinemage.biochem.duke.edu
Lovell, Davis, et al. Proteins 50:437 (2003)

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