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
|
9.26
|
327
|
There are 327 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:63:LYS:C
|
I:3:ARG:HD3
|
1.58
|
1
|
1
|
A:63:LYS:HG3
|
I:3:ARG:CD
|
1.52
|
1
|
1
|
A:63:LYS:CG
|
I:3:ARG:HD2
|
1.51
|
1
|
1
|
A:60:HIS:CB
|
I:3:ARG:HH21
|
1.51
|
1
|
1
|
A:60:HIS:HB3
|
I:3:ARG:NH2
|
1.42
|
1
|
1
|
A:61:SER:C
|
I:3:ARG:HH12
|
1.31
|
1
|
1
|
A:63:LYS:O
|
I:3:ARG:HD3
|
1.24
|
1
|
1
|
A:62:THR:N
|
I:3:ARG:HH12
|
1.20
|
1
|
1
|
A:63:LYS:C
|
I:3:ARG:CD
|
1.19
|
1
|
1
|
A:63:LYS:CG
|
I:3:ARG:CD
|
1.16
|
1
|
1
|
A:60:HIS:C
|
I:3:ARG:NH2
|
1.15
|
1
|
1
|
A:63:LYS:O
|
I:3:ARG:CD
|
1.15
|
1
|
1
|
A:62:THR:N
|
I:3:ARG:NH1
|
1.10
|
1
|
1
|
A:61:SER:C
|
I:3:ARG:NH1
|
1.03
|
1
|
1
|
A:12:GLU:HG3
|
H:18:PHE:CE1
|
1.03
|
1
|
1
|
A:63:LYS:CB
|
I:3:ARG:HD2
|
1.01
|
1
|
1
|
A:61:SER:OG
|
H:24:LYS:NZ
|
0.98
|
1
|
1
|
A:63:LYS:HG2
|
I:3:ARG:HD2
|
0.97
|
1
|
1
|
C:14:VAL:HG13
|
C:15:PRO:HD3
|
0.97
|
1
|
1
|
A:61:SER:N
|
I:3:ARG:NH2
|
0.96
|
1
|
1
|
A:63:LYS:CA
|
I:3:ARG:HD3
|
0.93
|
1
|
1
|
A:60:HIS:CA
|
I:3:ARG:NH2
|
0.93
|
1
|
1
|
A:62:THR:H
|
I:3:ARG:HH22
|
0.89
|
1
|
1
|
A:60:HIS:CB
|
I:3:ARG:NH2
|
0.89
|
1
|
1
|
A:60:HIS:HB3
|
I:3:ARG:CZ
|
0.88
|
1
|
1
|
A:60:HIS:CA
|
I:3:ARG:HH21
|
0.87
|
1
|
1
|
A:63:LYS:HG3
|
I:3:ARG:CG
|
0.85
|
1
|
1
|
A:60:HIS:C
|
I:3:ARG:CZ
|
0.84
|
1
|
1
|
A:61:SER:N
|
I:3:ARG:HH22
|
0.84
|
1
|
1
|
A:62:THR:H
|
I:3:ARG:NH2
|
0.83
|
1
|
1
|
C:25:VAL:HB
|
C:26:PRO:HD3
|
0.82
|
1
|
1
|
D:237:LEU:HB3
|
D:242:ILE:HD11
|
0.82
|
1
|
1
|
K:238:GLU:HB3
|
K:368:LYS:HB2
|
0.82
|
1
|
1
|
A:63:LYS:HE3
|
I:3:ARG:O
|
0.80
|
1
|
1
|
A:60:HIS:HB2
|
I:3:ARG:HE
|
0.79
|
1
|
1
|
A:63:LYS:CA
|
I:3:ARG:CD
|
0.79
|
1
|
1
|
A:63:LYS:HG2
|
I:3:ARG:CD
|
0.79
|
1
|
1
|
J:328:TRP:HB2
|
J:349:ARG:HA
|
0.75
|
1
|
1
|
E:237:LEU:HB3
|
E:366:MET:HE2
|
0.75
|
1
|
1
|
A:22:TYR:C
|
L:25:THR:HG21
|
0.74
|
1
|
1
|
D:210:ASP:HB3
|
D:211:PRO:HD3
|
0.74
|
1
|
1
|
A:62:THR:N
|
I:3:ARG:CZ
|
0.74
|
1
|
1
|
F:10:GLU:HA
|
F:20:SER:HA
|
0.74
|
1
|
1
|
J:199:GLN:HA
|
J:392:LYS:HG2
|
0.74
|
1
|
1
|
C:12:ASP:HB2
|
D:70:LYS:HD3
|
0.73
|
1
|
1
|
A:22:TYR:C
|
L:25:THR:CG2
|
0.73
|
1
|
1
|
J:258:GLU:HB3
|
J:392:LYS:HB2
|
0.73
|
1
|
1
|
D:311:THR:HB
|
D:352:ALA:HB2
|
0.72
|
1
|
1
|
J:125:LEU:HD23
|
K:111:LEU:HD13
|
0.70
|
1
|
1
|
A:62:THR:N
|
I:3:ARG:HH22
|
0.70
|
1
|
1
|
A:22:TYR:N
|
L:25:THR:HG21
|
0.70
|
1
|
1
|
A:60:HIS:CB
|
I:3:ARG:CZ
|
0.69
|
1
|
1
|
J:341:ASP:HA
|
J:376:ASP:HB2
|
0.69
|
1
|
1
|
D:94:LEU:HD13
|
J:102:SER:HB3
|
0.69
|
1
|
1
|
A:63:LYS:CB
|
I:3:ARG:CD
|
0.68
|
1
|
1
|
J:246:THR:HB
|
J:273:THR:HA
|
0.68
|
1
|
1
|
A:62:THR:N
|
I:3:ARG:NH2
|
0.68
|
1
|
1
|
E:374:ILE:HG12
|
E:375:PRO:HD2
|
0.68
|
1
|
1
|
K:105:ASN:HA
|
K:108:ILE:HD12
|
0.68
|
1
|
1
|
D:90:GLU:O
|
D:94:LEU:HG
|
0.67
|
1
|
1
|
A:60:HIS:NE2
|
H:17:ASN:HA
|
0.67
|
1
|
1
|
I:21:TYR:HB3
|
I:24:ARG:HB2
|
0.66
|
1
|
1
|
A:60:HIS:CE1
|
H:17:ASN:HA
|
0.66
|
1
|
1
|
D:198:ARG:HB3
|
D:393:MET:HB3
|
0.66
|
1
|
1
|
A:48:ASP:HA
|
A:54:ALA:HB2
|
0.66
|
1
|
1
|
E:243:ARG:HG2
|
G:28:LEU:HD22
|
0.66
|
1
|
1
|
K:247:ALA:HB2
|
K:273:ALA:HB3
|
0.66
|
1
|
1
|
B:25:MET:HE1
|
E:13:ALA:HB3
|
0.65
|
1
|
1
|
A:60:HIS:HB3
|
I:3:ARG:HH21
|
0.65
|
1
|
1
|
A:63:LYS:HG2
|
I:3:ARG:NE
|
0.65
|
1
|
1
|
J:99:THR:HA
|
J:103:ASN:HB2
|
0.65
|
1
|
1
|
C:14:VAL:HG21
|
D:69:GLN:HB3
|
0.64
|
1
|
1
|
K:291:PHE:HB3
|
K:325:LYS:HB3
|
0.64
|
1
|
1
|
J:34:ARG:HB2
|
J:35:PRO:HD3
|
0.64
|
1
|
1
|
A:63:LYS:CD
|
I:3:ARG:HA
|
0.63
|
1
|
1
|
C:4:LEU:HD12
|
D:82:VAL:HA
|
0.63
|
1
|
1
|
A:60:HIS:CB
|
I:3:ARG:HE
|
0.63
|
1
|
1
|
K:179:THR:HB
|
K:373:ILE:HG13
|
0.63
|
1
|
1
|
G:24:ARG:O
|
G:28:LEU:HG
|
0.62
|
1
|
1
|
J:355:PRO:HA
|
J:378:VAL:HG13
|
0.62
|
1
|
1
|
J:104:ILE:HB
|
J:105:PRO:HD3
|
0.62
|
1
|
1
|
B:64:ILE:O
|
B:68:LEU:HG
|
0.61
|
1
|
1
|
A:63:LYS:CG
|
I:3:ARG:NE
|
0.61
|
1
|
1
|
D:341:ASP:HA
|
D:376:ASP:HB2
|
0.61
|
1
|
1
|
K:330:HIS:O
|
K:354:ILE:HA
|
0.61
|
1
|
1
|
J:243:SER:HA
|
J:274:VAL:HB
|
0.61
|
1
|
1
|
J:268:HIS:HB3
|
J:289:ARG:HG3
|
0.60
|
1
|
1
|
A:20:SER:HB2
|
H:26:PRO:HB3
|
0.60
|
1
|
1
|
A:60:HIS:HB2
|
I:3:ARG:NE
|
0.60
|
1
|
1
|
J:316:MET:HG3
|
J:348:ASN:HB2
|
0.60
|
1
|
1
|
C:15:PRO:HD2
|
C:18:PHE:HB3
|
0.60
|
1
|
1
|
E:236:GLU:HG2
|
E:246:THR:HG23
|
0.60
|
1
|
1
|
F:9:LYS:HG3
|
F:10:GLU:OE1
|
0.59
|
1
|
1
|
K:302:TRP:HB3
|
K:315:GLU:HA
|
0.59
|
1
|
1
|
E:53:LEU:HD12
|
J:127:SER:HB3
|
0.59
|
1
|
1
|
F:6:LYS:HB2
|
F:48:THR:HG21
|
0.59
|
1
|
1
|
K:245:SER:HB2
|
K:273:ALA:HB2
|
0.59
|
1
|
1
|
A:60:HIS:CB
|
I:3:ARG:NE
|
0.59
|
1
|
1
|
H:28:GLU:HG3
|
L:29:SER:HB3
|
0.59
|
1
|
1
|
D:81:VAL:HG13
|
D:82:VAL:HG23
|
0.58
|
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
|
2226
|
2036
|
164
|
26
|
Chain | Res | Type | Models (Total) |
---|---|---|---|
A
|
56
|
HIS
|
1
|
B
|
8
|
PRO
|
1
|
C
|
14
|
VAL
|
1
|
D
|
83
|
ASN
|
1
|
D
|
103
|
ASN
|
1
|
D
|
200
|
ASP
|
1
|
D
|
271
|
GLY
|
1
|
D
|
350
|
CYS
|
1
|
E
|
56
|
ASN
|
1
|
E
|
147
|
GLY
|
1
|
E
|
326
|
CYS
|
1
|
E
|
329
|
GLY
|
1
|
E
|
359
|
TRP
|
1
|
G
|
8
|
PRO
|
1
|
G
|
169
|
PRO
|
1
|
G
|
170
|
SER
|
1
|
J
|
81
|
VAL
|
1
|
J
|
85
|
TYR
|
1
|
J
|
200
|
ASP
|
1
|
J
|
262
|
GLY
|
1
|
J
|
292
|
ALA
|
1
|
J
|
350
|
CYS
|
1
|
K
|
56
|
ASN
|
1
|
K
|
147
|
GLY
|
1
|
K
|
185
|
LEU
|
1
|
K
|
326
|
CYS
|
1
|
Model ID | Analysed | Favored | Allowed | Outliers |
---|---|---|---|---|
1
|
1982
|
1571
|
219
|
192
|
Chain | Res | Type | Models (Total) |
---|---|---|---|
A
|
2
|
GLU
|
1
|
A
|
3
|
SER
|
1
|
A
|
15
|
SER
|
1
|
A
|
21
|
SER
|
1
|
A
|
23
|
SER
|
1
|
A
|
29
|
SER
|
1
|
A
|
38
|
THR
|
1
|
A
|
49
|
GLU
|
1
|
A
|
52
|
SER
|
1
|
A
|
53
|
GLU
|
1
|
A
|
61
|
SER
|
1
|
B
|
10
|
CYS
|
1
|
B
|
13
|
GLU
|
1
|
B
|
14
|
ASP
|
1
|
B
|
18
|
LYS
|
1
|
B
|
34
|
GLN
|
1
|
B
|
45
|
ASN
|
1
|
B
|
47
|
LEU
|
1
|
B
|
58
|
HIS
|
1
|
B
|
86
|
SER
|
1
|
B
|
140
|
SER
|
1
|
B
|
146
|
GLU
|
1
|
B
|
158
|
GLN
|
1
|
B
|
166
|
ASP
|
1
|
C
|
4
|
LEU
|
1
|
C
|
8
|
LYS
|
1
|
C
|
14
|
VAL
|
1
|
C
|
20
|
SER
|
1
|
D
|
21
|
THR
|
1
|
D
|
31
|
GLN
|
1
|
D
|
53
|
THR
|
1
|
D
|
63
|
LEU
|
1
|
D
|
65
|
LYS
|
1
|
D
|
72
|
GLN
|
1
|
D
|
77
|
ASP
|
1
|
D
|
78
|
ASN
|
1
|
D
|
83
|
ASN
|
1
|
D
|
86
|
SER
|
1
|
D
|
87
|
SER
|
1
|
D
|
89
|
LEU
|
1
|
D
|
92
|
HIS
|
1
|
D
|
99
|
THR
|
1
|
D
|
106
|
THR
|
1
|
D
|
124
|
LYS
|
1
|
D
|
125
|
LEU
|
1
|
D
|
153
|
GLU
|
1
|
D
|
156
|
GLU
|
1
|
D
|
163
|
GLU
|
1
|
D
|
164
|
THR
|
1
|
D
|
174
|
SER
|
1
|
D
|
175
|
SER
|
1
|
D
|
213
|
LYS
|
1
|
D
|
223
|
THR
|
1
|
D
|
245
|
LEU
|
1
|
D
|
259
|
ASP
|
1
|
D
|
291
|
THR
|
1
|
D
|
319
|
SER
|
1
|
D
|
330
|
THR
|
1
|
D
|
335
|
LYS
|
1
|
D
|
336
|
GLN
|
1
|
D
|
366
|
THR
|
1
|
D
|
371
|
LYS
|
1
|
D
|
374
|
THR
|
1
|
D
|
376
|
ASP
|
1
|
D
|
386
|
SER
|
1
|
D
|
397
|
ILE
|
1
|
D
|
400
|
PHE
|
1
|
E
|
9
|
THR
|
1
|
E
|
18
|
THR
|
1
|
E
|
28
|
GLN
|
1
|
E
|
60
|
SER
|
1
|
E
|
80
|
ILE
|
1
|
E
|
89
|
THR
|
1
|
E
|
124
|
GLU
|
1
|
E
|
129
|
THR
|
1
|
E
|
139
|
ASP
|
1
|
E
|
170
|
GLU
|
1
|
E
|
172
|
ASP
|
1
|
E
|
174
|
SER
|
1
|
E
|
182
|
GLN
|
1
|
E
|
185
|
LEU
|
1
|
E
|
188
|
SER
|
1
|
E
|
208
|
THR
|
1
|
E
|
210
|
THR
|
1
|
E
|
241
|
ASN
|
1
|
E
|
243
|
ARG
|
1
|
E
|
257
|
GLU
|
1
|
E
|
284
|
ASP
|
1
|
E
|
287
|
SER
|
1
|
E
|
301
|
THR
|
1
|
E
|
304
|
ASN
|
1
|
E
|
310
|
GLU
|
1
|
E
|
319
|
SER
|
1
|
E
|
346
|
THR
|
1
|
E
|
351
|
ASP
|
1
|
E
|
358
|
THR
|
1
|
E
|
377
|
ASN
|
1
|
E
|
380
|
THR
|
1
|
F
|
1
|
LYS
|
1
|
F
|
13
|
THR
|
1
|