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 63 bond length outliers in this entry (0.86% of 7323 assessed bonds). A summary is provided below.| Chain | Res | Type | Atoms | |Z| | Observed (Å) | Ideal (Å) | Model ID (Worst) | Models (Total) |
|---|---|---|---|---|---|---|---|---|
|
C
|
477
|
TPO
|
OG1-P
|
9.77
|
1.52
|
1.72
|
1
|
1
|
|
C
|
463
|
SEP
|
O3P-P
|
4.82
|
1.51
|
1.61
|
1
|
1
|
|
C
|
467
|
SEP
|
O3P-P
|
4.82
|
1.51
|
1.61
|
1
|
1
|
|
C
|
493
|
SEP
|
O1P-P
|
4.82
|
1.51
|
1.61
|
1
|
1
|
|
C
|
478
|
SEP
|
O2P-P
|
4.81
|
1.51
|
1.61
|
1
|
1
|
|
C
|
478
|
SEP
|
O1P-P
|
4.81
|
1.51
|
1.61
|
1
|
1
|
|
C
|
493
|
SEP
|
O2P-P
|
4.80
|
1.51
|
1.61
|
1
|
1
|
|
C
|
467
|
SEP
|
O2P-P
|
4.80
|
1.51
|
1.61
|
1
|
1
|
|
C
|
463
|
SEP
|
O2P-P
|
4.80
|
1.51
|
1.61
|
1
|
1
|
|
C
|
493
|
SEP
|
O3P-P
|
4.79
|
1.51
|
1.61
|
1
|
1
|
|
C
|
467
|
SEP
|
O1P-P
|
4.78
|
1.51
|
1.61
|
1
|
1
|
|
C
|
478
|
SEP
|
O3P-P
|
4.78
|
1.51
|
1.61
|
1
|
1
|
|
C
|
463
|
SEP
|
O1P-P
|
4.75
|
1.51
|
1.61
|
1
|
1
|
|
C
|
493
|
SEP
|
OG-P
|
4.40
|
1.52
|
1.61
|
1
|
1
|
|
C
|
463
|
SEP
|
OG-P
|
4.39
|
1.52
|
1.61
|
1
|
1
|
|
C
|
478
|
SEP
|
OG-P
|
4.39
|
1.52
|
1.61
|
1
|
1
|
|
C
|
467
|
SEP
|
OG-P
|
4.36
|
1.52
|
1.61
|
1
|
1
|
|
C
|
117
|
HIS
|
CE1-NE2
|
4.36
|
1.36
|
1.32
|
1
|
1
|
|
C
|
190
|
HIS
|
CE1-NE2
|
4.36
|
1.36
|
1.32
|
1
|
1
|
|
A
|
111
|
HIS
|
CE1-NE2
|
4.36
|
1.36
|
1.32
|
1
|
1
|
|
B
|
25
|
HIS
|
CE1-NE2
|
4.36
|
1.36
|
1.32
|
1
|
1
|
|
C
|
88
|
HIS
|
CE1-NE2
|
4.36
|
1.36
|
1.32
|
1
|
1
|
|
A
|
30
|
HIS
|
CE1-NE2
|
4.35
|
1.36
|
1.32
|
1
|
1
|
|
C
|
197
|
HIS
|
CE1-NE2
|
4.35
|
1.36
|
1.32
|
1
|
1
|
|
A
|
159
|
HIS
|
CE1-NE2
|
4.34
|
1.36
|
1.32
|
1
|
1
|
|
B
|
9
|
HIS
|
CE1-NE2
|
4.33
|
1.36
|
1.32
|
1
|
1
|
|
C
|
476
|
HIS
|
CD2-NE2
|
4.33
|
1.33
|
1.37
|
1
|
1
|
|
A
|
111
|
HIS
|
CD2-NE2
|
4.33
|
1.33
|
1.37
|
1
|
1
|
|
B
|
25
|
HIS
|
CD2-NE2
|
4.32
|
1.33
|
1.37
|
1
|
1
|
|
A
|
198
|
HIS
|
CE1-NE2
|
4.32
|
1.36
|
1.32
|
1
|
1
|
|
C
|
134
|
HIS
|
CE1-NE2
|
4.32
|
1.36
|
1.32
|
1
|
1
|
|
C
|
114
|
HIS
|
CE1-NE2
|
4.32
|
1.36
|
1.32
|
1
|
1
|
|
A
|
219
|
HIS
|
CE1-NE2
|
4.31
|
1.36
|
1.32
|
1
|
1
|
|
A
|
159
|
HIS
|
CD2-NE2
|
4.31
|
1.33
|
1.37
|
1
|
1
|
|
C
|
114
|
HIS
|
CD2-NE2
|
4.31
|
1.33
|
1.37
|
1
|
1
|
|
A
|
353
|
HIS
|
CD2-NE2
|
4.31
|
1.33
|
1.37
|
1
|
1
|
|
C
|
16
|
HIS
|
CE1-NE2
|
4.30
|
1.36
|
1.32
|
1
|
1
|
|
C
|
88
|
HIS
|
CD2-NE2
|
4.30
|
1.33
|
1.37
|
1
|
1
|
|
C
|
197
|
HIS
|
CD2-NE2
|
4.30
|
1.33
|
1.37
|
1
|
1
|
|
C
|
394
|
HIS
|
CE1-NE2
|
4.30
|
1.36
|
1.32
|
1
|
1
|
|
C
|
134
|
HIS
|
CD2-NE2
|
4.29
|
1.33
|
1.37
|
1
|
1
|
|
C
|
476
|
HIS
|
CE1-NE2
|
4.29
|
1.36
|
1.32
|
1
|
1
|
|
C
|
190
|
HIS
|
CD2-NE2
|
4.29
|
1.33
|
1.37
|
1
|
1
|
|
C
|
16
|
HIS
|
CD2-NE2
|
4.28
|
1.33
|
1.37
|
1
|
1
|
|
A
|
353
|
HIS
|
CE1-NE2
|
4.28
|
1.36
|
1.32
|
1
|
1
|
|
A
|
210
|
HIS
|
CE1-NE2
|
4.26
|
1.36
|
1.32
|
1
|
1
|
|
A
|
295
|
HIS
|
CE1-NE2
|
4.26
|
1.36
|
1.32
|
1
|
1
|
|
A
|
198
|
HIS
|
CD2-NE2
|
4.26
|
1.33
|
1.37
|
1
|
1
|
|
A
|
219
|
HIS
|
CD2-NE2
|
4.26
|
1.33
|
1.37
|
1
|
1
|
|
C
|
281
|
HIS
|
CE1-NE2
|
4.26
|
1.36
|
1.32
|
1
|
1
|
|
C
|
416
|
HIS
|
CE1-NE2
|
4.26
|
1.36
|
1.32
|
1
|
1
|
|
A
|
210
|
HIS
|
CD2-NE2
|
4.26
|
1.33
|
1.37
|
1
|
1
|
|
C
|
199
|
HIS
|
CD2-NE2
|
4.25
|
1.33
|
1.37
|
1
|
1
|
|
C
|
117
|
HIS
|
CD2-NE2
|
4.25
|
1.33
|
1.37
|
1
|
1
|
|
B
|
32
|
HIS
|
CD2-NE2
|
4.25
|
1.33
|
1.37
|
1
|
1
|
|
A
|
295
|
HIS
|
CD2-NE2
|
4.24
|
1.33
|
1.37
|
1
|
1
|
|
B
|
32
|
HIS
|
CE1-NE2
|
4.24
|
1.36
|
1.32
|
1
|
1
|
|
A
|
30
|
HIS
|
CD2-NE2
|
4.24
|
1.33
|
1.37
|
1
|
1
|
|
C
|
199
|
HIS
|
CE1-NE2
|
4.23
|
1.36
|
1.32
|
1
|
1
|
|
C
|
281
|
HIS
|
CD2-NE2
|
4.22
|
1.33
|
1.37
|
1
|
1
|
|
C
|
416
|
HIS
|
CD2-NE2
|
4.22
|
1.33
|
1.37
|
1
|
1
|
|
C
|
394
|
HIS
|
CD2-NE2
|
4.22
|
1.33
|
1.37
|
1
|
1
|
|
B
|
9
|
HIS
|
CD2-NE2
|
4.21
|
1.33
|
1.37
|
1
|
1
|
Standard geometry: angle outliers ?
There are no bond angle outliers.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
|
2.52
|
36
|
There are 36 clashes. The table below contains the detailed list of all clashes based on a MolProbity analysis. Bad clashes are >= 0.4 Angstrom.
| Atom 1 | Atom 2 | Clash(Å) | Model ID (Worst) | Models (Total) |
|---|---|---|---|---|
|
A:150:CYS:O
|
A:151:ALA:CB
|
0.73
|
1
|
1
|
|
A:149:PHE:CD1
|
A:149:PHE:N
|
0.61
|
1
|
1
|
|
A:89:PRO:O
|
A:90:ALA:HB3
|
0.60
|
1
|
1
|
|
C:62:TYR:N
|
C:63:PRO:HD2
|
0.59
|
1
|
1
|
|
C:165:TYR:C
|
C:165:TYR:CD1
|
0.59
|
1
|
1
|
|
A:197:LEU:C
|
A:197:LEU:HD23
|
0.58
|
1
|
1
|
|
C:71:ALA:N
|
C:72:PRO:CD
|
0.57
|
1
|
1
|
|
A:150:CYS:O
|
A:151:ALA:HB2
|
0.56
|
1
|
1
|
|
C:165:TYR:CD1
|
C:166:THR:N
|
0.54
|
1
|
1
|
|
C:339:VAL:N
|
C:340:PRO:CD
|
0.53
|
1
|
1
|
|
C:305:LEU:N
|
C:306:PRO:CD
|
0.53
|
1
|
1
|
|
C:459:ARG:O
|
C:460:LYS:C
|
0.52
|
1
|
1
|
|
A:90:ALA:HB1
|
A:91:PRO:HD2
|
0.51
|
1
|
1
|
|
C:369:GLY:O
|
C:370:ARG:CB
|
0.49
|
1
|
1
|
|
A:150:CYS:O
|
A:151:ALA:HB3
|
0.49
|
1
|
1
|
|
C:366:THR:O
|
C:367:ASN:C
|
0.49
|
1
|
1
|
|
A:95:LYS:N
|
A:96:PRO:HD2
|
0.48
|
1
|
1
|
|
C:62:TYR:N
|
C:63:PRO:CD
|
0.47
|
1
|
1
|
|
A:298:THR:OG1
|
A:299:ASN:N
|
0.47
|
1
|
1
|
|
A:314:ILE:N
|
A:314:ILE:HD12
|
0.46
|
1
|
1
|
|
A:328:VAL:O
|
A:329:VAL:HG23
|
0.46
|
1
|
1
|
|
A:89:PRO:O
|
A:90:ALA:CB
|
0.46
|
1
|
1
|
|
C:62:TYR:HB3
|
C:63:PRO:HD3
|
0.45
|
1
|
1
|
|
C:478:SEP:OG
|
C:479:VAL:N
|
0.45
|
1
|
1
|
|
C:467:SEP:O2P
|
C:469:SER:N
|
0.44
|
1
|
1
|
|
C:321:ALA:O
|
C:322:ASN:C
|
0.44
|
1
|
1
|
|
A:148:ALA:C
|
A:149:PHE:CG
|
0.43
|
1
|
1
|
|
C:123:ASP:C
|
C:123:ASP:OD1
|
0.43
|
1
|
1
|
|
A:87:PHE:HA
|
A:88:PRO:C
|
0.42
|
1
|
1
|
|
C:1:ASP:C
|
C:1:ASP:OD1
|
0.42
|
1
|
1
|
|
C:388:MET:N
|
C:389:PRO:CD
|
0.42
|
1
|
1
|
|
A:197:LEU:O
|
A:197:LEU:HD23
|
0.41
|
1
|
1
|
|
C:370:ARG:O
|
C:371:CYS:C
|
0.41
|
1
|
1
|
|
C:47:SER:O
|
C:48:THR:C
|
0.41
|
1
|
1
|
|
C:490:LEU:HA
|
C:491:PRO:C
|
0.40
|
1
|
1
|
|
C:85:GLU:OE2
|
C:120:ARG:NH1
|
0.40
|
1
|
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
|
874
|
811
|
48
|
15
|
| Chain | Res | Type | Models (Total) |
|---|---|---|---|
|
A
|
89
|
PRO
|
1
|
|
A
|
90
|
ALA
|
1
|
|
A
|
149
|
PHE
|
1
|
|
A
|
151
|
ALA
|
1
|
|
A
|
152
|
GLU
|
1
|
|
A
|
329
|
VAL
|
1
|
|
A
|
335
|
LEU
|
1
|
|
C
|
149
|
THR
|
1
|
|
C
|
322
|
ASN
|
1
|
|
C
|
331
|
GLY
|
1
|
|
C
|
370
|
ARG
|
1
|
|
C
|
392
|
GLY
|
1
|
|
C
|
459
|
ARG
|
1
|
|
C
|
470
|
TYR
|
1
|
|
C
|
485
|
ARG
|
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
|
766
|
725
|
27
|
14
|
| Chain | Res | Type | Models (Total) |
|---|---|---|---|
|
A
|
18
|
LEU
|
1
|
|
A
|
56
|
THR
|
1
|
|
A
|
75
|
PHE
|
1
|
|
A
|
100
|
LEU
|
1
|
|
A
|
102
|
GLU
|
1
|
|
A
|
138
|
LYS
|
1
|
|
A
|
149
|
PHE
|
1
|
|
A
|
159
|
HIS
|
1
|
|
A
|
215
|
SER
|
1
|
|
A
|
329
|
VAL
|
1
|
|
C
|
371
|
CYS
|
1
|
|
C
|
462
|
ARG
|
1
|
|
C
|
480
|
THR
|
1
|
|
C
|
503
|
ASN
|
1
|