4. 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.
4.1b. MolProbity Analysis ?
Excluded volume satisfaction for the models in the entry are listed below. The Analysed column shows the number of particle-partice or particle-atom pairs for which excluded volume was analysed.Standard geometry: bond outliers ?
There are 100 bond length outliers in this entry (0.30% of 33168 assessed bonds). A summary is provided below.| Chain | Res | Type | Atoms | |Z| | Observed (Å) | Ideal (Å) | Model ID (Worst) | Models (Total) |
|---|---|---|---|---|---|---|---|---|
|
3
|
186
|
LEU
|
CA-CB
|
11.17
|
1.75
|
1.53
|
2
|
1
|
|
1
|
186
|
LEU
|
CA-CB
|
11.14
|
1.75
|
1.53
|
2
|
1
|
|
2
|
186
|
LEU
|
CA-CB
|
11.12
|
1.75
|
1.53
|
2
|
1
|
|
4
|
186
|
LEU
|
CA-CB
|
11.12
|
1.75
|
1.53
|
2
|
1
|
|
2
|
213
|
HIS
|
CE1-NE2
|
6.64
|
1.25
|
1.32
|
2
|
2
|
|
1
|
213
|
HIS
|
CE1-NE2
|
6.60
|
1.25
|
1.32
|
1
|
2
|
|
4
|
213
|
HIS
|
CE1-NE2
|
6.59
|
1.26
|
1.32
|
2
|
2
|
|
3
|
213
|
HIS
|
CE1-NE2
|
6.55
|
1.26
|
1.32
|
1
|
2
|
|
3
|
518
|
HIS
|
CB-CG
|
5.83
|
1.42
|
1.50
|
2
|
2
|
|
1
|
518
|
HIS
|
CB-CG
|
5.79
|
1.42
|
1.50
|
1
|
2
|
|
2
|
518
|
HIS
|
CB-CG
|
5.76
|
1.42
|
1.50
|
2
|
2
|
|
4
|
518
|
HIS
|
CB-CG
|
5.76
|
1.42
|
1.50
|
1
|
2
|
|
2
|
371
|
LEU
|
CB-CG
|
5.56
|
1.64
|
1.53
|
2
|
2
|
|
1
|
371
|
LEU
|
CB-CG
|
5.53
|
1.64
|
1.53
|
2
|
2
|
|
3
|
331
|
LEU
|
CG-CD2
|
5.52
|
1.34
|
1.52
|
2
|
1
|
|
4
|
371
|
LEU
|
CB-CG
|
5.50
|
1.64
|
1.53
|
2
|
2
|
|
3
|
371
|
LEU
|
CB-CG
|
5.50
|
1.64
|
1.53
|
2
|
2
|
|
2
|
331
|
LEU
|
CG-CD2
|
5.49
|
1.34
|
1.52
|
2
|
1
|
|
4
|
331
|
LEU
|
CG-CD2
|
5.49
|
1.34
|
1.52
|
2
|
1
|
|
1
|
331
|
LEU
|
CG-CD2
|
5.47
|
1.34
|
1.52
|
2
|
1
|
|
3
|
341
|
ARG
|
CD-NE
|
5.41
|
1.38
|
1.46
|
2
|
1
|
|
1
|
356
|
GLU
|
CB-CG
|
5.41
|
1.36
|
1.52
|
2
|
1
|
|
2
|
341
|
ARG
|
CD-NE
|
5.40
|
1.38
|
1.46
|
2
|
1
|
|
2
|
356
|
GLU
|
CB-CG
|
5.39
|
1.36
|
1.52
|
2
|
1
|
|
1
|
341
|
ARG
|
CD-NE
|
5.39
|
1.38
|
1.46
|
2
|
1
|
|
4
|
356
|
GLU
|
CB-CG
|
5.37
|
1.36
|
1.52
|
2
|
1
|
|
3
|
356
|
GLU
|
CB-CG
|
5.37
|
1.36
|
1.52
|
2
|
1
|
|
4
|
341
|
ARG
|
CD-NE
|
5.35
|
1.38
|
1.46
|
2
|
1
|
|
2
|
199
|
ARG
|
NE-CZ
|
5.26
|
1.38
|
1.33
|
1
|
2
|
|
1
|
199
|
ARG
|
NE-CZ
|
5.25
|
1.38
|
1.33
|
1
|
2
|
|
3
|
199
|
ARG
|
NE-CZ
|
5.21
|
1.38
|
1.33
|
2
|
2
|
|
4
|
199
|
ARG
|
NE-CZ
|
5.21
|
1.38
|
1.33
|
2
|
2
|
|
2
|
478
|
ARG
|
CD-NE
|
4.72
|
1.39
|
1.46
|
2
|
1
|
|
1
|
478
|
ARG
|
CD-NE
|
4.72
|
1.39
|
1.46
|
2
|
1
|
|
4
|
478
|
ARG
|
CD-NE
|
4.71
|
1.39
|
1.46
|
2
|
1
|
|
3
|
478
|
ARG
|
CD-NE
|
4.69
|
1.39
|
1.46
|
2
|
1
|
|
2
|
483
|
GLN
|
CG-CD
|
4.61
|
1.40
|
1.52
|
1
|
2
|
|
3
|
483
|
GLN
|
CG-CD
|
4.60
|
1.40
|
1.52
|
1
|
2
|
|
4
|
483
|
GLN
|
CG-CD
|
4.60
|
1.40
|
1.52
|
2
|
2
|
|
1
|
483
|
GLN
|
CG-CD
|
4.59
|
1.40
|
1.52
|
2
|
2
|
|
2
|
218
|
TRP
|
CG-CD2
|
4.45
|
1.51
|
1.43
|
2
|
1
|
|
3
|
218
|
TRP
|
CG-CD2
|
4.45
|
1.51
|
1.43
|
2
|
1
|
|
4
|
370
|
ASN
|
CB-CG
|
4.44
|
1.41
|
1.52
|
1
|
1
|
|
1
|
370
|
ASN
|
CB-CG
|
4.42
|
1.41
|
1.52
|
1
|
1
|
|
2
|
370
|
ASN
|
CB-CG
|
4.42
|
1.41
|
1.52
|
1
|
1
|
|
1
|
218
|
TRP
|
CG-CD2
|
4.42
|
1.51
|
1.43
|
2
|
1
|
|
4
|
218
|
TRP
|
CG-CD2
|
4.42
|
1.51
|
1.43
|
2
|
1
|
|
1
|
332
|
ARG
|
CG-CD
|
4.42
|
1.39
|
1.52
|
2
|
1
|
|
4
|
332
|
ARG
|
CG-CD
|
4.42
|
1.39
|
1.52
|
2
|
1
|
|
3
|
332
|
ARG
|
CG-CD
|
4.42
|
1.39
|
1.52
|
2
|
1
|
|
1
|
521
|
ARG
|
NE-CZ
|
4.41
|
1.37
|
1.33
|
1
|
2
|
|
3
|
370
|
ASN
|
CB-CG
|
4.41
|
1.41
|
1.52
|
1
|
1
|
|
2
|
332
|
ARG
|
CG-CD
|
4.39
|
1.39
|
1.52
|
2
|
1
|
|
4
|
521
|
ARG
|
NE-CZ
|
4.39
|
1.37
|
1.33
|
1
|
2
|
|
2
|
521
|
ARG
|
NE-CZ
|
4.39
|
1.37
|
1.33
|
1
|
2
|
|
3
|
521
|
ARG
|
NE-CZ
|
4.35
|
1.37
|
1.33
|
2
|
2
|
|
4
|
444
|
LEU
|
CB-CG
|
4.31
|
1.62
|
1.53
|
2
|
2
|
|
3
|
444
|
LEU
|
CB-CG
|
4.30
|
1.62
|
1.53
|
1
|
2
|
|
2
|
444
|
LEU
|
CB-CG
|
4.27
|
1.62
|
1.53
|
2
|
2
|
|
1
|
444
|
LEU
|
CB-CG
|
4.27
|
1.62
|
1.53
|
1
|
2
|
|
4
|
341
|
ARG
|
CZ-NH2
|
4.24
|
1.27
|
1.33
|
2
|
1
|
|
3
|
341
|
ARG
|
CZ-NH2
|
4.19
|
1.28
|
1.33
|
2
|
1
|
|
2
|
341
|
ARG
|
CZ-NH2
|
4.19
|
1.28
|
1.33
|
2
|
1
|
|
1
|
341
|
ARG
|
CZ-NH2
|
4.17
|
1.28
|
1.33
|
2
|
1
|
|
1
|
304
|
SER
|
CB-OG
|
4.15
|
1.33
|
1.42
|
2
|
1
|
|
4
|
304
|
SER
|
CB-OG
|
4.15
|
1.33
|
1.42
|
2
|
1
|
|
2
|
304
|
SER
|
CB-OG
|
4.15
|
1.33
|
1.42
|
2
|
1
|
|
2
|
367
|
ARG
|
NE-CZ
|
4.14
|
1.37
|
1.33
|
1
|
1
|
|
3
|
367
|
ARG
|
NE-CZ
|
4.14
|
1.37
|
1.33
|
1
|
1
|
|
3
|
304
|
SER
|
CB-OG
|
4.13
|
1.33
|
1.42
|
2
|
1
|
|
1
|
367
|
ARG
|
NE-CZ
|
4.09
|
1.37
|
1.33
|
1
|
1
|
|
4
|
367
|
ARG
|
NE-CZ
|
4.07
|
1.37
|
1.33
|
1
|
1
|
Standard geometry: angle outliers ?
There are 227 bond angle outliers in this entry (0.51% of 44872 assessed bonds). A summary is provided below. The output is limited to 100 rows.| Chain | Res | Type | Atoms | |Z| | Observed (Å) | Ideal (Å) | Model ID (Worst) | Models (Total) |
|---|---|---|---|---|---|---|---|---|
|
2
|
640
|
PHE
|
CA-CB-CG
|
8.48
|
122.28
|
113.80
|
1
|
2
|
|
4
|
459
|
PHE
|
CA-CB-CG
|
8.47
|
122.27
|
113.80
|
1
|
2
|
|
2
|
459
|
PHE
|
CA-CB-CG
|
8.47
|
122.27
|
113.80
|
1
|
2
|
|
1
|
640
|
PHE
|
CA-CB-CG
|
8.46
|
122.26
|
113.80
|
1
|
2
|
|
1
|
459
|
PHE
|
CA-CB-CG
|
8.46
|
122.26
|
113.80
|
1
|
2
|
|
4
|
640
|
PHE
|
CA-CB-CG
|
8.45
|
122.25
|
113.80
|
1
|
2
|
|
3
|
459
|
PHE
|
CA-CB-CG
|
8.44
|
122.24
|
113.80
|
1
|
2
|
|
3
|
640
|
PHE
|
CA-CB-CG
|
8.41
|
122.21
|
113.80
|
1
|
2
|
|
4
|
346
|
SER
|
N-CA-CB
|
7.23
|
122.78
|
110.50
|
2
|
1
|
|
3
|
346
|
SER
|
N-CA-CB
|
7.22
|
122.78
|
110.50
|
2
|
1
|
|
2
|
346
|
SER
|
N-CA-CB
|
7.22
|
122.77
|
110.50
|
2
|
1
|
|
1
|
346
|
SER
|
N-CA-CB
|
7.18
|
122.70
|
110.50
|
2
|
1
|
|
3
|
260
|
PHE
|
CA-CB-CG
|
6.90
|
106.90
|
113.80
|
1
|
2
|
|
2
|
260
|
PHE
|
CA-CB-CG
|
6.90
|
106.90
|
113.80
|
1
|
2
|
|
4
|
260
|
PHE
|
CA-CB-CG
|
6.90
|
106.90
|
113.80
|
1
|
2
|
|
1
|
260
|
PHE
|
CA-CB-CG
|
6.88
|
106.92
|
113.80
|
1
|
2
|
|
1
|
530
|
ASP
|
CA-CB-CG
|
6.79
|
119.39
|
112.60
|
1
|
2
|
|
3
|
530
|
ASP
|
CA-CB-CG
|
6.79
|
119.39
|
112.60
|
1
|
2
|
|
2
|
530
|
ASP
|
CA-CB-CG
|
6.78
|
119.38
|
112.60
|
1
|
2
|
|
4
|
530
|
ASP
|
CA-CB-CG
|
6.77
|
119.37
|
112.60
|
1
|
2
|
|
1
|
345
|
LEU
|
C-N-CA
|
6.28
|
110.40
|
121.70
|
2
|
1
|
|
3
|
345
|
LEU
|
C-N-CA
|
6.27
|
110.42
|
121.70
|
2
|
1
|
|
2
|
345
|
LEU
|
C-N-CA
|
6.25
|
110.46
|
121.70
|
2
|
1
|
|
4
|
345
|
LEU
|
C-N-CA
|
6.23
|
110.48
|
121.70
|
2
|
1
|
|
2
|
365
|
VAL
|
C-N-CA
|
6.03
|
110.85
|
121.70
|
2
|
1
|
|
1
|
359
|
PHE
|
C-N-CA
|
6.01
|
110.89
|
121.70
|
2
|
1
|
|
3
|
365
|
VAL
|
C-N-CA
|
6.01
|
110.89
|
121.70
|
2
|
1
|
|
4
|
359
|
PHE
|
C-N-CA
|
6.01
|
110.89
|
121.70
|
2
|
1
|
|
2
|
359
|
PHE
|
C-N-CA
|
6.00
|
110.89
|
121.70
|
2
|
1
|
|
1
|
365
|
VAL
|
C-N-CA
|
6.00
|
110.90
|
121.70
|
2
|
1
|
|
3
|
359
|
PHE
|
C-N-CA
|
6.00
|
110.91
|
121.70
|
2
|
1
|
|
4
|
365
|
VAL
|
C-N-CA
|
5.99
|
110.92
|
121.70
|
2
|
1
|
|
1
|
639
|
HIS
|
CA-CB-CG
|
5.77
|
119.57
|
113.80
|
1
|
2
|
|
3
|
639
|
HIS
|
CA-CB-CG
|
5.76
|
119.56
|
113.80
|
1
|
2
|
|
3
|
241
|
HIS
|
CA-CB-CG
|
5.71
|
119.51
|
113.80
|
1
|
1
|
|
2
|
639
|
HIS
|
CA-CB-CG
|
5.71
|
119.51
|
113.80
|
1
|
2
|
|
1
|
241
|
HIS
|
CA-CB-CG
|
5.69
|
119.49
|
113.80
|
1
|
1
|
|
4
|
639
|
HIS
|
CA-CB-CG
|
5.68
|
119.48
|
113.80
|
1
|
2
|
|
4
|
241
|
HIS
|
CA-CB-CG
|
5.66
|
119.46
|
113.80
|
1
|
1
|
|
2
|
241
|
HIS
|
CA-CB-CG
|
5.65
|
119.45
|
113.80
|
1
|
2
|
|
3
|
408
|
HIS
|
CA-CB-CG
|
5.47
|
108.33
|
113.80
|
1
|
2
|
|
1
|
408
|
HIS
|
CA-CB-CG
|
5.44
|
108.36
|
113.80
|
1
|
2
|
|
2
|
465
|
ASN
|
CA-CB-CG
|
5.43
|
107.17
|
112.60
|
1
|
2
|
|
4
|
408
|
HIS
|
CA-CB-CG
|
5.43
|
108.37
|
113.80
|
1
|
2
|
|
2
|
408
|
HIS
|
CA-CB-CG
|
5.42
|
108.38
|
113.80
|
1
|
2
|
|
1
|
465
|
ASN
|
CA-CB-CG
|
5.38
|
107.22
|
112.60
|
1
|
2
|
|
4
|
465
|
ASN
|
CA-CB-CG
|
5.37
|
107.23
|
112.60
|
1
|
2
|
|
3
|
465
|
ASN
|
CA-CB-CG
|
5.36
|
107.24
|
112.60
|
1
|
2
|
|
3
|
471
|
ASP
|
CA-CB-CG
|
5.21
|
117.81
|
112.60
|
2
|
2
|
|
4
|
471
|
ASP
|
CA-CB-CG
|
5.18
|
117.78
|
112.60
|
2
|
2
|
|
2
|
471
|
ASP
|
CA-CB-CG
|
5.18
|
117.78
|
112.60
|
2
|
2
|
|
1
|
471
|
ASP
|
CA-CB-CG
|
5.18
|
117.78
|
112.60
|
1
|
2
|
|
1
|
218
|
TRP
|
CA-CB-CG
|
5.17
|
103.77
|
113.60
|
2
|
1
|
|
3
|
218
|
TRP
|
CA-CB-CG
|
5.15
|
103.81
|
113.60
|
2
|
1
|
|
2
|
218
|
TRP
|
CA-CB-CG
|
5.15
|
103.82
|
113.60
|
2
|
1
|
|
4
|
218
|
TRP
|
CA-CB-CG
|
5.15
|
103.82
|
113.60
|
2
|
1
|
|
3
|
216
|
PHE
|
CA-CB-CG
|
4.93
|
108.87
|
113.80
|
1
|
1
|
|
2
|
216
|
PHE
|
CA-CB-CG
|
4.90
|
108.90
|
113.80
|
1
|
1
|
|
4
|
216
|
PHE
|
CA-CB-CG
|
4.89
|
108.91
|
113.80
|
1
|
1
|
|
1
|
216
|
PHE
|
CA-CB-CG
|
4.88
|
108.92
|
113.80
|
1
|
1
|
|
3
|
389
|
VAL
|
CA-C-N
|
4.86
|
124.19
|
116.90
|
1
|
2
|
|
1
|
389
|
VAL
|
CA-C-N
|
4.86
|
124.19
|
116.90
|
1
|
2
|
|
4
|
641
|
ASN
|
CA-CB-CG
|
4.86
|
117.46
|
112.60
|
2
|
2
|
|
3
|
641
|
ASN
|
CA-CB-CG
|
4.85
|
117.45
|
112.60
|
2
|
2
|
|
2
|
641
|
ASN
|
CA-CB-CG
|
4.84
|
117.44
|
112.60
|
2
|
2
|
|
1
|
641
|
ASN
|
CA-CB-CG
|
4.84
|
117.44
|
112.60
|
1
|
2
|
|
2
|
389
|
VAL
|
CA-C-N
|
4.83
|
124.15
|
116.90
|
1
|
2
|
|
4
|
389
|
VAL
|
CA-C-N
|
4.83
|
124.14
|
116.90
|
1
|
2
|
|
2
|
581
|
ARG
|
C-CA-CB
|
4.82
|
100.94
|
110.10
|
1
|
1
|
|
3
|
581
|
ARG
|
C-CA-CB
|
4.81
|
100.97
|
110.10
|
1
|
1
|
|
4
|
581
|
ARG
|
C-CA-CB
|
4.80
|
100.97
|
110.10
|
1
|
1
|
|
1
|
581
|
ARG
|
C-CA-CB
|
4.80
|
100.97
|
110.10
|
1
|
1
|
|
2
|
344
|
ARG
|
NE-CZ-NH2
|
4.76
|
114.92
|
119.20
|
1
|
1
|
|
4
|
320
|
HIS
|
CA-CB-CG
|
4.75
|
109.05
|
113.80
|
1
|
2
|
|
1
|
344
|
ARG
|
NE-CZ-NH2
|
4.74
|
114.93
|
119.20
|
1
|
1
|
|
3
|
320
|
HIS
|
CA-CB-CG
|
4.73
|
109.07
|
113.80
|
1
|
2
|
|
3
|
344
|
ARG
|
NE-CZ-NH2
|
4.72
|
114.95
|
119.20
|
1
|
1
|
|
1
|
287
|
GLN
|
C-N-CA
|
4.72
|
113.21
|
121.70
|
2
|
2
|
|
2
|
320
|
HIS
|
CA-CB-CG
|
4.72
|
109.08
|
113.80
|
1
|
2
|
|
4
|
344
|
ARG
|
NE-CZ-NH2
|
4.71
|
114.96
|
119.20
|
1
|
1
|
|
1
|
311
|
PHE
|
CA-CB-CG
|
4.71
|
118.51
|
113.80
|
1
|
1
|
|
3
|
287
|
GLN
|
C-N-CA
|
4.71
|
113.23
|
121.70
|
2
|
2
|
|
4
|
581
|
ARG
|
CA-CB-CG
|
4.70
|
123.49
|
114.10
|
1
|
1
|
|
1
|
320
|
HIS
|
CA-CB-CG
|
4.70
|
109.10
|
113.80
|
1
|
2
|
|
2
|
287
|
GLN
|
C-N-CA
|
4.68
|
113.27
|
121.70
|
2
|
2
|
|
4
|
287
|
GLN
|
C-N-CA
|
4.68
|
113.27
|
121.70
|
2
|
2
|
|
1
|
581
|
ARG
|
CA-CB-CG
|
4.68
|
123.46
|
114.10
|
1
|
1
|
|
1
|
397
|
ASP
|
CA-CB-CG
|
4.68
|
107.92
|
112.60
|
2
|
2
|
|
2
|
581
|
ARG
|
CA-CB-CG
|
4.68
|
123.46
|
114.10
|
1
|
1
|
|
4
|
311
|
PHE
|
CA-CB-CG
|
4.68
|
118.48
|
113.80
|
1
|
1
|
|
3
|
581
|
ARG
|
CA-CB-CG
|
4.67
|
123.44
|
114.10
|
1
|
1
|
|
3
|
397
|
ASP
|
CA-CB-CG
|
4.67
|
107.93
|
112.60
|
2
|
2
|
|
3
|
311
|
PHE
|
CA-CB-CG
|
4.65
|
118.45
|
113.80
|
1
|
1
|
|
4
|
397
|
ASP
|
CA-CB-CG
|
4.65
|
107.95
|
112.60
|
1
|
2
|
|
2
|
397
|
ASP
|
CA-CB-CG
|
4.64
|
107.96
|
112.60
|
1
|
2
|
|
2
|
311
|
PHE
|
CA-CB-CG
|
4.64
|
118.44
|
113.80
|
1
|
1
|
|
3
|
344
|
ARG
|
CD-NE-CZ
|
4.62
|
130.87
|
124.40
|
1
|
1
|
|
4
|
346
|
SER
|
C-CA-CB
|
4.62
|
101.32
|
110.10
|
2
|
1
|
|
3
|
346
|
SER
|
C-CA-CB
|
4.61
|
101.35
|
110.10
|
2
|
1
|
|
4
|
344
|
ARG
|
CD-NE-CZ
|
4.60
|
130.84
|
124.40
|
1
|
1
|
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
|
0.00
|
0
|
|
2
|
0.00
|
0
|
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
|
1956
|
1924
|
32
|
0
|
|
2
|
1956
|
1916
|
40
|
0
|
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
|
1780
|
1760
|
20
|
0
|
|
2
|
1780
|
1760
|
20
|
0
|