Model quality ?
For models with atomic structures, MolProbity analysis is performed. For models with coarse-grained or multi-scale structures, excluded volume analysis is performed.
Standard geometry: bond outliers ?
There are 10 bond length outliers in this entry (0.06% of 17498 assessed bonds). A summary is provided below.| Chain | Res | Type | Atoms | |Z| | Observed (Å) | Ideal (Å) | Model ID (Worst) | Models (Total) |
|---|---|---|---|---|---|---|---|---|
|
A
|
453
|
LEU
|
C-N
|
68.68
|
2.44
|
1.34
|
1
|
1
|
|
A
|
369
|
GLN
|
C-N
|
38.91
|
0.78
|
1.33
|
4
|
4
|
|
A
|
59
|
GLU
|
C-N
|
28.98
|
1.73
|
1.33
|
3
|
1
|
|
A
|
483
|
ARG
|
CD-NE
|
4.07
|
1.52
|
1.46
|
2
|
4
|
Standard geometry: angle outliers ?
There are 103 bond angle outliers in this entry (0.44% of 23555 assessed bonds). A summary is provided below.| Chain | Res | Type | Atoms | |Z| | Observed (Å) | Ideal (Å) | Model ID (Worst) | Models (Total) |
|---|---|---|---|---|---|---|---|---|
|
A
|
59
|
GLU
|
CA-C-N
|
51.27
|
13.66
|
116.20
|
3
|
1
|
|
A
|
369
|
GLN
|
CA-C-N
|
45.39
|
25.42
|
116.20
|
4
|
4
|
|
A
|
453
|
LEU
|
CA-C-N
|
42.95
|
52.47
|
116.90
|
1
|
1
|
|
A
|
453
|
LEU
|
O-C-N
|
33.80
|
68.92
|
123.00
|
1
|
1
|
|
A
|
59
|
GLU
|
C-N-CA
|
32.84
|
62.59
|
121.70
|
3
|
1
|
|
A
|
453
|
LEU
|
C-N-CD
|
25.29
|
21.30
|
125.00
|
1
|
1
|
|
A
|
369
|
GLN
|
C-N-CA
|
23.12
|
80.08
|
121.70
|
4
|
4
|
|
A
|
369
|
GLN
|
O-C-N
|
9.64
|
107.57
|
123.00
|
4
|
4
|
|
A
|
59
|
GLU
|
O-C-N
|
7.80
|
110.52
|
123.00
|
3
|
1
|
|
A
|
19
|
ASP
|
CA-CB-CG
|
6.67
|
119.27
|
112.60
|
4
|
4
|
|
A
|
536
|
ASP
|
CA-CB-CG
|
6.14
|
118.74
|
112.60
|
3
|
4
|
|
A
|
104
|
VAL
|
N-CA-CB
|
5.43
|
102.27
|
111.50
|
4
|
4
|
|
A
|
402
|
THR
|
CA-C-N
|
5.38
|
124.96
|
116.90
|
4
|
4
|
|
A
|
116
|
ASP
|
CA-CB-CG
|
5.35
|
117.95
|
112.60
|
4
|
4
|
|
A
|
23
|
MET
|
CG-SD-CE
|
5.34
|
89.15
|
100.90
|
2
|
4
|
|
A
|
468
|
HIS
|
ND1-CG-CD2
|
4.80
|
110.90
|
106.10
|
2
|
4
|
|
A
|
493
|
ASP
|
CA-CB-CG
|
4.77
|
117.37
|
112.60
|
1
|
4
|
|
A
|
453
|
LEU
|
C-N-CA
|
4.67
|
99.24
|
122.60
|
1
|
1
|
|
A
|
185
|
VAL
|
CA-C-N
|
4.61
|
123.81
|
116.90
|
4
|
4
|
|
A
|
261
|
HIS
|
ND1-CG-CD2
|
4.48
|
110.58
|
106.10
|
4
|
4
|
|
A
|
488
|
ILE
|
C-N-CA
|
4.47
|
129.74
|
121.70
|
2
|
4
|
|
A
|
103
|
HIS
|
ND1-CG-CD2
|
4.45
|
110.55
|
106.10
|
4
|
4
|
|
A
|
535
|
ASP
|
CA-CB-CG
|
4.45
|
117.05
|
112.60
|
4
|
4
|
|
A
|
224
|
ASN
|
CA-CB-CG
|
4.42
|
108.18
|
112.60
|
4
|
4
|
|
A
|
378
|
HIS
|
ND1-CG-CD2
|
4.29
|
110.39
|
106.10
|
4
|
4
|
|
A
|
220
|
MET
|
CA-C-N
|
4.28
|
123.32
|
116.90
|
4
|
4
|
|
A
|
254
|
HIS
|
ND1-CG-CD2
|
4.26
|
110.36
|
106.10
|
4
|
4
|
|
A
|
104
|
VAL
|
CA-CB-CG1
|
4.21
|
117.56
|
110.40
|
4
|
4
|
|
A
|
524
|
PRO
|
C-N-CA
|
4.16
|
129.19
|
121.70
|
3
|
4
|
|
A
|
247
|
LYS
|
CA-C-N
|
4.12
|
123.07
|
116.90
|
4
|
4
|
|
A
|
165
|
HIS
|
ND1-CG-CD2
|
4.04
|
110.14
|
106.10
|
4
|
4
|
Too-close contacts ?
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
|
62.59
|
538
|
|
2
|
56.22
|
483
|
|
3
|
43.31
|
372
|
|
4
|
61.32
|
527
|
There are 1920 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:46:ILE:CG2
|
A:183:ARG:HA
|
1.66
|
4
|
1
|
|
A:57:VAL:HG22
|
A:179:PHE:CD2
|
1.66
|
2
|
1
|
|
A:46:ILE:HG21
|
A:183:ARG:CA
|
1.65
|
4
|
1
|
|
A:208:ARG:CD
|
A:501:LYS:HG2
|
1.64
|
2
|
2
|
|
A:32:GLU:HG3
|
A:353:TYR:CE1
|
1.63
|
4
|
1
|
|
A:423:ILE:HA
|
A:526:ARG:CD
|
1.62
|
1
|
1
|
|
A:208:ARG:HD3
|
A:501:LYS:CG
|
1.61
|
2
|
1
|
|
A:208:ARG:HH21
|
A:501:LYS:CD
|
1.60
|
1
|
1
|
|
A:423:ILE:HA
|
A:526:ARG:CG
|
1.60
|
1
|
1
|
|
A:57:VAL:HG22
|
A:179:PHE:CE2
|
1.60
|
2
|
2
|
|
A:56:SER:CB
|
A:196:MET:HE1
|
1.60
|
1
|
1
|
|
A:57:VAL:CG1
|
A:179:PHE:HB3
|
1.58
|
3
|
2
|
|
A:373:ILE:HB
|
A:524:PRO:CG
|
1.57
|
3
|
1
|
|
A:24:TYR:HB3
|
A:388:ARG:CZ
|
1.57
|
4
|
1
|
|
A:187:LYS:CE
|
A:412:MET:HG2
|
1.57
|
4
|
4
|
|
A:200:MET:CE
|
A:504:ASP:HB2
|
1.56
|
2
|
2
|
|
A:56:SER:HA
|
A:196:MET:CE
|
1.53
|
1
|
2
|
|
A:27:GLU:CB
|
A:359:ARG:NH2
|
1.52
|
3
|
1
|
|
A:50:ILE:HD13
|
A:179:PHE:CD2
|
1.52
|
4
|
1
|
|
A:56:SER:CA
|
A:196:MET:HE1
|
1.50
|
1
|
2
|
|
A:57:VAL:CG1
|
A:179:PHE:CB
|
1.50
|
3
|
2
|
|
A:31:VAL:CG2
|
A:353:TYR:N
|
1.49
|
1
|
1
|
|
A:30:THR:CG2
|
A:355:THR:HG21
|
1.49
|
1
|
1
|
|
A:451:LEU:CD1
|
A:455:LEU:HD23
|
1.48
|
1
|
1
|
|
A:423:ILE:CD1
|
A:526:ARG:HG2
|
1.48
|
3
|
1
|
|
A:423:ILE:HD11
|
A:526:ARG:CG
|
1.48
|
3
|
1
|
|
A:378:HIS:CE1
|
A:516:LYS:CE
|
1.47
|
1
|
1
|
|
A:24:TYR:CB
|
A:388:ARG:CZ
|
1.47
|
4
|
1
|
|
A:296:ARG:HH22
|
A:507:ARG:CG
|
1.47
|
1
|
1
|
|
A:416:LYS:CE
|
A:477:ARG:NH2
|
1.47
|
1
|
1
|
|
A:296:ARG:NH1
|
A:512:GLN:NE2
|
1.47
|
3
|
1
|
|
A:378:HIS:CE1
|
A:516:LYS:HE3
|
1.46
|
1
|
1
|
|
A:193:VAL:CG1
|
A:477:ARG:NH1
|
1.46
|
2
|
1
|
|
A:31:VAL:CG2
|
A:352:THR:HB
|
1.46
|
2
|
1
|
|
A:41:ASP:OD1
|
A:345:ARG:CD
|
1.45
|
4
|
1
|
|
A:300:LYS:CE
|
A:508:GLU:CG
|
1.45
|
1
|
1
|
|
A:57:VAL:CG2
|
A:179:PHE:CD2
|
1.44
|
2
|
2
|
|
A:41:ASP:OD2
|
A:345:ARG:CG
|
1.43
|
4
|
1
|
|
A:422:LYS:CG
|
A:526:ARG:HH11
|
1.43
|
1
|
1
|
|
A:185:VAL:HG21
|
A:411:LEU:CB
|
1.42
|
4
|
4
|
|
A:57:VAL:CG2
|
A:179:PHE:CE2
|
1.42
|
1
|
2
|
|
A:423:ILE:CA
|
A:526:ARG:HD2
|
1.42
|
1
|
1
|
|
A:51:ASN:HD21
|
A:180:LYS:CG
|
1.42
|
4
|
1
|
|
A:200:MET:HE2
|
A:504:ASP:CB
|
1.42
|
3
|
2
|
|
A:300:LYS:CE
|
A:508:GLU:HG3
|
1.41
|
1
|
1
|
|
A:208:ARG:HE
|
A:501:LYS:C
|
1.41
|
2
|
1
|
|
A:44:LYS:HD2
|
A:294:LYS:CE
|
1.41
|
2
|
1
|
|
A:41:ASP:CG
|
A:345:ARG:CD
|
1.41
|
4
|
1
|
|
A:36:ARG:C
|
A:93:ALA:HA
|
1.41
|
4
|
1
|
|
A:300:LYS:HE2
|
A:508:GLU:CG
|
1.41
|
1
|
1
|
|
A:27:GLU:HB2
|
A:359:ARG:NH2
|
1.41
|
3
|
1
|
|
A:208:ARG:NH2
|
A:501:LYS:CD
|
1.40
|
1
|
1
|
|
A:36:ARG:O
|
A:93:ALA:CA
|
1.40
|
4
|
1
|
|
A:24:TYR:HB3
|
A:388:ARG:NE
|
1.40
|
4
|
1
|
|
A:32:GLU:HG3
|
A:353:TYR:CZ
|
1.40
|
4
|
1
|
|
A:185:VAL:CG2
|
A:411:LEU:HD22
|
1.40
|
4
|
4
|
|
A:59:GLU:CG
|
A:280:GLN:O
|
1.39
|
4
|
1
|
|
A:51:ASN:ND2
|
A:180:LYS:HG2
|
1.39
|
4
|
1
|
|
A:200:MET:CE
|
A:504:ASP:CB
|
1.39
|
2
|
2
|
|
A:378:HIS:HE1
|
A:496:LEU:CD1
|
1.39
|
4
|
1
|
|
A:451:LEU:HD13
|
A:455:LEU:CD2
|
1.39
|
1
|
1
|
|
A:36:ARG:HG3
|
A:93:ALA:C
|
1.39
|
4
|
1
|
|
A:33:LEU:HG
|
A:349:LYS:NZ
|
1.38
|
2
|
2
|
|
A:30:THR:N
|
A:352:THR:CG2
|
1.38
|
1
|
2
|
|
A:34:LEU:HD12
|
A:349:LYS:NZ
|
1.37
|
3
|
1
|
|
A:32:GLU:CB
|
A:351:SER:OG
|
1.37
|
1
|
1
|
|
A:56:SER:O
|
A:63:ALA:HB2
|
1.37
|
1
|
2
|
|
A:185:VAL:HG22
|
A:411:LEU:CD2
|
1.37
|
4
|
4
|
|
A:42:ILE:HD13
|
A:342:PHE:CE2
|
1.37
|
3
|
2
|
|
A:31:VAL:CG2
|
A:352:THR:C
|
1.37
|
1
|
1
|
|
A:31:VAL:HG22
|
A:353:TYR:CA
|
1.36
|
1
|
1
|
|
A:36:ARG:CG
|
A:93:ALA:C
|
1.36
|
4
|
1
|
|
A:56:SER:CB
|
A:196:MET:CE
|
1.36
|
1
|
1
|
|
A:204:ARG:CD
|
A:501:LYS:HG2
|
1.36
|
1
|
1
|
|
A:27:GLU:CG
|
A:359:ARG:NH2
|
1.36
|
3
|
1
|
|
A:57:VAL:HG13
|
A:179:PHE:CG
|
1.35
|
3
|
2
|
|
A:57:VAL:CG2
|
A:179:PHE:HD2
|
1.35
|
2
|
1
|
|
A:372:THR:OG1
|
A:524:PRO:CB
|
1.35
|
1
|
1
|
|
A:56:SER:CA
|
A:196:MET:CE
|
1.35
|
1
|
1
|
|
A:194:ASN:HB3
|
A:516:LYS:NZ
|
1.35
|
4
|
1
|
|
A:187:LYS:HE2
|
A:412:MET:CG
|
1.34
|
4
|
4
|
|
A:300:LYS:NZ
|
A:508:GLU:HG3
|
1.34
|
1
|
1
|
|
A:42:ILE:HG21
|
A:342:PHE:CE2
|
1.34
|
3
|
1
|
|
A:30:THR:HB
|
A:355:THR:CB
|
1.34
|
1
|
1
|
|
A:45:ARG:NH2
|
A:339:VAL:HG13
|
1.34
|
3
|
3
|
|
A:45:ARG:NH2
|
A:339:VAL:CG1
|
1.34
|
3
|
3
|
|
A:293:ALA:CB
|
A:512:GLN:HE22
|
1.34
|
2
|
1
|
|
A:361:ALA:CB
|
A:377:VAL:HG11
|
1.34
|
4
|
4
|
|
A:422:LYS:CE
|
A:473:GLY:HA3
|
1.33
|
1
|
1
|
|
A:423:ILE:N
|
A:526:ARG:HD2
|
1.33
|
1
|
1
|
|
A:416:LYS:NZ
|
A:477:ARG:HH22
|
1.33
|
1
|
1
|
|
A:296:ARG:NH2
|
A:507:ARG:HG2
|
1.33
|
1
|
1
|
|
A:296:ARG:CZ
|
A:512:GLN:HE22
|
1.33
|
3
|
1
|
|
A:200:MET:HE1
|
A:504:ASP:CB
|
1.32
|
2
|
1
|
|
A:57:VAL:C
|
A:61:PRO:HD3
|
1.32
|
4
|
1
|
|
A:33:LEU:CA
|
A:349:LYS:HD3
|
1.32
|
3
|
1
|
|
A:208:ARG:NE
|
A:501:LYS:CB
|
1.32
|
2
|
2
|
|
A:28:MET:O
|
A:352:THR:HG21
|
1.31
|
1
|
1
|
|
A:293:ALA:HB2
|
A:512:GLN:NE2
|
1.31
|
2
|
1
|
|
A:53:VAL:O
|
A:60:TYR:CB
|
1.30
|
4
|
1
|
Torsion angles: Protein backbone ?
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
|
530
|
480
|
42
|
8
|
|
2
|
530
|
480
|
42
|
8
|
|
3
|
532
|
480
|
43
|
9
|
|
4
|
530
|
480
|
42
|
8
|
| Chain | Res | Type | Models (Total) |
|---|---|---|---|
|
A
|
19
|
ASP
|
4
|
|
A
|
77
|
GLU
|
4
|
|
A
|
129
|
ALA
|
4
|
|
A
|
135
|
ILE
|
4
|
|
A
|
136
|
ASP
|
4
|
|
A
|
439
|
ASP
|
4
|
|
A
|
489
|
ASP
|
4
|
|
A
|
491
|
ASN
|
4
|
|
A
|
60
|
TYR
|
1
|
Torsion angles : Protein sidechains ?
In the following table, sidechain rotameric outliers are listed. The Analysed column shows the number of residues for which the sidechain conformation was analysed.| Model ID | Analysed | Favored | Allowed | Outliers |
|---|---|---|---|---|
|
1
|
473
|
455
|
17
|
1
|
|
2
|
473
|
455
|
17
|
1
|
|
3
|
473
|
455
|
17
|
1
|
|
4
|
473
|
455
|
17
|
1
|
| Chain | Res | Type | Models (Total) |
|---|---|---|---|
|
A
|
422
|
LYS
|
4
|