For models with atomic structures, MolProbity analysis is performed. For models with coarse-grained or multi-scale structures, excluded volume analysis is performed.
The following all-atom clashscore is based on a MolProbity analysis. All-atom clashscore is defined as the number of clashes found per 1000 atoms (including hydrogen atoms). The table below contains clashscores for all atomic models in this entry.
| Model ID | Clash score | Number of clashes |
|---|---|---|
|
1
|
11.96
|
145
|
There are 145 clashes. The table below contains the detailed list of all clashes based on a MolProbity analysis. Bad clashes are >= 0.4 Angstrom. The output is limited to 100 rows.
| Atom 1 | Atom 2 | Clash(Å) | Model ID (Worst) | Models (Total) |
|---|---|---|---|---|
|
A:249:VAL:HG22
|
B:24:ASP:HA
|
0.95
|
1
|
1
|
|
A:11:ASP:HB3
|
A:42:THR:HB
|
0.89
|
1
|
1
|
|
A:361:PRO:HA
|
A:369:TYR:HB3
|
0.88
|
1
|
1
|
|
A:514:VAL:HG21
|
A:562:LYS:HB2
|
0.83
|
1
|
1
|
|
A:641:PRO:HG3
|
B:39:ARG:HG3
|
0.81
|
1
|
1
|
|
A:62:VAL:HG13
|
A:67:PRO:HB3
|
0.74
|
1
|
1
|
|
A:483:MET:HB2
|
A:584:LEU:HD23
|
0.73
|
1
|
1
|
|
A:12:LEU:HB3
|
A:31:LEU:HD22
|
0.73
|
1
|
1
|
|
A:499:THR:HG23
|
A:501:GLU:H
|
0.72
|
1
|
1
|
|
B:27:ILE:HG12
|
B:54:SER:HB3
|
0.69
|
1
|
1
|
|
A:379:ILE:HD13
|
A:393:VAL:HG12
|
0.68
|
1
|
1
|
|
A:514:VAL:HG13
|
A:518:GLY:HA2
|
0.66
|
1
|
1
|
|
A:606:GLU:HB3
|
A:651:ARG:HG3
|
0.65
|
1
|
1
|
|
A:81:ASP:HA
|
A:92:VAL:HG22
|
0.65
|
1
|
1
|
|
A:617:LEU:HD11
|
A:668:PHE:HZ
|
0.65
|
1
|
1
|
|
A:200:ASN:HA
|
A:227:MET:SD
|
0.64
|
1
|
1
|
|
A:460:ASN:HB3
|
A:464:LYS:HB2
|
0.63
|
1
|
1
|
|
A:158:GLU:HA
|
A:162:THR:OG1
|
0.62
|
1
|
1
|
|
A:599:GLN:HG3
|
A:600:LYS:HG2
|
0.62
|
1
|
1
|
|
A:262:ARG:HD2
|
A:632:GLU:HG2
|
0.62
|
1
|
1
|
|
A:504:VAL:HA
|
A:533:ASN:HA
|
0.61
|
1
|
1
|
|
A:374:VAL:HG21
|
A:390:ALA:HA
|
0.61
|
1
|
1
|
|
A:259:ASP:O
|
A:263:ARG:HG2
|
0.60
|
1
|
1
|
|
A:668:PHE:HB3
|
A:676:VAL:HB
|
0.58
|
1
|
1
|
|
A:495:ILE:HD11
|
A:507:LEU:HD22
|
0.58
|
1
|
1
|
|
A:276:GLN:HG2
|
A:278:TRP:CZ3
|
0.58
|
1
|
1
|
|
A:196:LEU:HD12
|
A:227:MET:HB3
|
0.58
|
1
|
1
|
|
A:167:ILE:HB
|
A:178:ILE:HG23
|
0.58
|
1
|
1
|
|
A:559:ASN:HB3
|
A:584:LEU:HB2
|
0.57
|
1
|
1
|
|
A:355:GLN:HB3
|
A:373:PRO:HB2
|
0.57
|
1
|
1
|
|
A:236:VAL:HG23
|
A:237:LEU:HD12
|
0.56
|
1
|
1
|
|
A:260:ILE:HG23
|
A:272:VAL:HG21
|
0.56
|
1
|
1
|
|
A:567:LEU:HB3
|
A:576:LEU:HB2
|
0.56
|
1
|
1
|
|
A:343:THR:HG22
|
A:352:GLU:HG3
|
0.56
|
1
|
1
|
|
A:565:ALA:HB3
|
A:578:ALA:HB3
|
0.56
|
1
|
1
|
|
B:72:LEU:HB3
|
B:86:CYS:SG
|
0.55
|
1
|
1
|
|
A:186:GLU:HB3
|
A:189:ILE:HG12
|
0.55
|
1
|
1
|
|
A:26:LEU:HD22
|
A:185:PHE:HA
|
0.54
|
1
|
1
|
|
A:59:PHE:HB2
|
A:77:PHE:CE2
|
0.54
|
1
|
1
|
|
A:179:PRO:HG3
|
A:679:PHE:HB3
|
0.54
|
1
|
1
|
|
A:416:ILE:HD12
|
A:469:GLU:HG2
|
0.53
|
1
|
1
|
|
A:9:ARG:HB2
|
A:44:HIS:HB3
|
0.53
|
1
|
1
|
|
A:307:GLN:HE22
|
A:311:LEU:HA
|
0.53
|
1
|
1
|
|
A:85:GLU:H
|
A:89:THR:HG21
|
0.52
|
1
|
1
|
|
A:153:GLU:O
|
A:156:ARG:HG2
|
0.52
|
1
|
1
|
|
A:513:THR:HG23
|
A:555:LEU:HD23
|
0.52
|
1
|
1
|
|
A:249:VAL:HG13
|
B:24:ASP:HB3
|
0.51
|
1
|
1
|
|
A:311:LEU:HD22
|
A:395:ALA:HB2
|
0.51
|
1
|
1
|
|
A:624:VAL:HG12
|
A:666:VAL:HG12
|
0.51
|
1
|
1
|
|
B:5:PHE:HD2
|
B:7:LYS:HE2
|
0.51
|
1
|
1
|
|
A:445:TYR:HB2
|
A:452:GLU:HB3
|
0.51
|
1
|
1
|
|
A:4:GLU:HG2
|
A:123:THR:HB
|
0.50
|
1
|
1
|
|
A:50:TYR:HE1
|
A:57:LEU:HB2
|
0.50
|
1
|
1
|
|
A:323:ILE:HG12
|
A:325:GLY:H
|
0.50
|
1
|
1
|
|
A:342:MET:HG2
|
A:355:GLN:HG3
|
0.50
|
1
|
1
|
|
A:343:THR:HA
|
A:352:GLU:HG3
|
0.50
|
1
|
1
|
|
A:14:LEU:H
|
A:14:LEU:HD12
|
0.49
|
1
|
1
|
|
A:112:ILE:H
|
A:112:ILE:HD13
|
0.49
|
1
|
1
|
|
B:60:THR:HG23
|
B:75:VAL:HB
|
0.49
|
1
|
1
|
|
A:433:ARG:HB2
|
A:435:GLU:OE1
|
0.49
|
1
|
1
|
|
A:56:SER:HB3
|
A:122:SER:HB2
|
0.49
|
1
|
1
|
|
A:548:TYR:HA
|
A:551:TYR:CE2
|
0.49
|
1
|
1
|
|
A:67:PRO:HB2
|
A:74:LYS:HB2
|
0.49
|
1
|
1
|
|
A:36:GLY:H
|
A:106:THR:HB
|
0.49
|
1
|
1
|
|
A:491:VAL:HB
|
A:544:LEU:HB2
|
0.48
|
1
|
1
|
|
A:587:PRO:HG2
|
A:673:LEU:HD21
|
0.48
|
1
|
1
|
|
A:509:LEU:HB2
|
A:527:LYS:HB2
|
0.48
|
1
|
1
|
|
A:154:GLU:HB2
|
A:431:VAL:HG11
|
0.47
|
1
|
1
|
|
A:445:TYR:HB3
|
A:446:PRO:HD2
|
0.47
|
1
|
1
|
|
A:61:VAL:O
|
A:74:LYS:HA
|
0.47
|
1
|
1
|
|
A:532:LEU:H
|
A:532:LEU:HD22
|
0.47
|
1
|
1
|
|
A:639:PRO:HA
|
B:43:THR:OG1
|
0.47
|
1
|
1
|
|
A:623:THR:HB
|
A:635:THR:HG23
|
0.47
|
1
|
1
|
|
A:21:HIS:CE1
|
A:37:GLN:HB3
|
0.47
|
1
|
1
|
|
A:618:GLU:CB
|
B:40:ILE:HG13
|
0.47
|
1
|
1
|
|
A:425:LYS:HA
|
A:425:LYS:HD3
|
0.47
|
1
|
1
|
|
A:430:SER:HB2
|
A:433:ARG:HG3
|
0.47
|
1
|
1
|
|
A:255:ILE:HD12
|
A:625:GLU:HG2
|
0.46
|
1
|
1
|
|
A:623:THR:HA
|
A:635:THR:HA
|
0.46
|
1
|
1
|
|
A:244:ASN:HD21
|
B:10:GLY:HA3
|
0.46
|
1
|
1
|
|
A:13:GLU:HG3
|
A:16:THR:HB
|
0.46
|
1
|
1
|
|
A:294:PRO:HB2
|
A:341:TRP:HB3
|
0.46
|
1
|
1
|
|
A:201:PRO:O
|
A:205:LYS:HG2
|
0.46
|
1
|
1
|
|
A:195:ILE:O
|
A:199:VAL:HG23
|
0.45
|
1
|
1
|
|
A:193:CYS:HB3
|
A:287:VAL:HG13
|
0.45
|
1
|
1
|
|
A:328:SER:HB3
|
A:519:ILE:HA
|
0.45
|
1
|
1
|
|
A:593:ILE:HD13
|
A:680:ARG:HD2
|
0.45
|
1
|
1
|
|
A:387:LYS:O
|
A:388:TYR:HB2
|
0.45
|
1
|
1
|
|
A:497:ASN:OD1
|
A:499:THR:HG22
|
0.45
|
1
|
1
|
|
A:471:THR:HG22
|
A:574:SER:HB3
|
0.45
|
1
|
1
|
|
A:61:VAL:HB
|
A:115:TYR:HD2
|
0.44
|
1
|
1
|
|
A:447:GLU:HA
|
A:452:GLU:OE1
|
0.44
|
1
|
1
|
|
A:343:THR:HG22
|
A:352:GLU:CG
|
0.44
|
1
|
1
|
|
A:362:GLN:HG3
|
A:392:PHE:CZ
|
0.44
|
1
|
1
|
|
A:456:PHE:O
|
A:460:ASN:HB2
|
0.44
|
1
|
1
|
|
A:492:PHE:CZ
|
A:543:PRO:HB3
|
0.44
|
1
|
1
|
|
A:299:THR:HG23
|
A:336:CYS:SG
|
0.44
|
1
|
1
|
|
A:505:CYS:HB2
|
A:567:LEU:HD11
|
0.44
|
1
|
1
|
|
A:569:GLU:OE1
|
A:571:VAL:HG13
|
0.44
|
1
|
1
|
|
A:81:ASP:CG
|
A:82:ALA:H
|
0.43
|
1
|
1
|
In the following table, Ramachandran outliers are listed. The Analysed column shows the number of residues for which the backbone conformation was analysed.
| Model ID | Analysed | Favored | Allowed | Outliers |
|---|---|---|---|---|
|
1
|
773
|
682
|
81
|
10
|
| Chain | Res | Type | Models (Total) |
|---|---|---|---|
|
A
|
47
|
GLY
|
1
|
|
A
|
81
|
ASP
|
1
|
|
A
|
93
|
VAL
|
1
|
|
A
|
108
|
ALA
|
1
|
|
A
|
230
|
CYS
|
1
|
|
A
|
421
|
ILE
|
1
|
|
A
|
431
|
VAL
|
1
|
|
A
|
465
|
LEU
|
1
|
|
A
|
525
|
GLY
|
1
|
|
B
|
37
|
ARG
|
1
|
| Model ID | Analysed | Favored | Allowed | Outliers |
|---|---|---|---|---|
|
1
|
671
|
459
|
126
|
86
|
| Chain | Res | Type | Models (Total) |
|---|---|---|---|
|
A
|
26
|
LEU
|
1
|
|
A
|
29
|
GLU
|
1
|
|
A
|
46
|
GLU
|
1
|
|
A
|
56
|
SER
|
1
|
|
A
|
58
|
THR
|
1
|
|
A
|
73
|
THR
|
1
|
|
A
|
84
|
GLU
|
1
|
|
A
|
94
|
ASP
|
1
|
|
A
|
100
|
LEU
|
1
|
|
A
|
103
|
GLN
|
1
|
|
A
|
112
|
ILE
|
1
|
|
A
|
118
|
SER
|
1
|
|
A
|
129
|
SER
|
1
|
|
A
|
151
|
ASP
|
1
|
|
A
|
157
|
GLN
|
1
|
|
A
|
163
|
GLN
|
1
|
|
A
|
164
|
GLN
|
1
|
|
A
|
166
|
PHE
|
1
|
|
A
|
184
|
GLN
|
1
|
|
A
|
186
|
GLU
|
1
|
|
A
|
209
|
ARG
|
1
|
|
A
|
211
|
CYS
|
1
|
|
A
|
215
|
SER
|
1
|
|
A
|
216
|
SER
|
1
|
|
A
|
225
|
SER
|
1
|
|
A
|
238
|
LEU
|
1
|
|
A
|
250
|
SER
|
1
|
|
A
|
255
|
ILE
|
1
|
|
A
|
257
|
SER
|
1
|
|
A
|
271
|
ARG
|
1
|
|
A
|
279
|
VAL
|
1
|
|
A
|
298
|
VAL
|
1
|
|
A
|
305
|
HIS
|
1
|
|
A
|
307
|
GLN
|
1
|
|
A
|
312
|
LEU
|
1
|
|
A
|
313
|
ILE
|
1
|
|
A
|
314
|
GLU
|
1
|
|
A
|
347
|
LEU
|
1
|
|
A
|
362
|
GLN
|
1
|
|
A
|
364
|
LYS
|
1
|
|
A
|
365
|
SER
|
1
|
|
A
|
381
|
GLU
|
1
|
|
A
|
419
|
SER
|
1
|
|
A
|
422
|
VAL
|
1
|
|
A
|
431
|
VAL
|
1
|
|
A
|
442
|
THR
|
1
|
|
A
|
447
|
GLU
|
1
|
|
A
|
478
|
ARG
|
1
|
|
A
|
483
|
MET
|
1
|
|
A
|
491
|
VAL
|
1
|
|
A
|
496
|
THR
|
1
|
|
A
|
503
|
TYR
|
1
|
|
A
|
524
|
CYS
|
1
|
|
A
|
526
|
THR
|
1
|
|
A
|
531
|
ASN
|
1
|
|
A
|
532
|
LEU
|
1
|
|
A
|
533
|
ASN
|
1
|
|
A
|
549
|
GLU
|
1
|
|
A
|
556
|
THR
|
1
|
|
A
|
560
|
LEU
|
1
|
|
A
|
571
|
VAL
|
1
|
|
A
|
577
|
LEU
|
1
|
|
A
|
608
|
SER
|
1
|
|
A
|
617
|
LEU
|
1
|
|
A
|
618
|
GLU
|
1
|
|
A
|
621
|
THR
|
1
|
|
A
|
631
|
GLU
|
1
|
|
A
|
632
|
GLU
|
1
|
|
A
|
653
|
ASP
|
1
|
|
A
|
657
|
LEU
|
1
|
|
A
|
659
|
MET
|
1
|
|
A
|
664
|
LEU
|
1
|
|
B
|
3
|
THR
|
1
|
|
B
|
7
|
LYS
|
1
|
|
B
|
9
|
THR
|
1
|
|
B
|
12
|
THR
|
1
|
|
B
|
13
|
TYR
|
1
|
|
B
|
24
|
ASP
|
1
|
|
B
|
29
|
ASP
|
1
|
|
B
|
40
|
ILE
|
1
|
|
B
|
56
|
LYS
|
1
|
|
B
|
60
|
THR
|
1
|
|
B
|
63
|
ARG
|
1
|
|
B
|
67
|
THR
|
1
|
|
B
|
74
|
CYS
|
1
|
|
B
|
85
|
THR
|
1
|