PDBIHM.org

PDB-IHM

System for Archiving Integrative Structures

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 114 bond length outliers in this entry (0.20% of 56306 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)
J
57
GLU
CB-CG
58.25
3.27
1.52
1
1
L
57
GLU
CB-CG
58.24
3.27
1.52
1
1
I
57
GLU
CB-CG
58.24
3.27
1.52
1
1
K
57
GLU
CB-CG
58.24
3.27
1.52
1
1
L
131
LEU
C-N
38.92
1.87
1.33
1
1
I
131
LEU
C-N
35.90
1.83
1.33
1
1
K
57
GLU
CA-CB
15.96
1.85
1.53
1
1
I
57
GLU
CA-CB
15.95
1.85
1.53
1
1
L
57
GLU
CA-CB
15.95
1.85
1.53
1
1
J
57
GLU
CA-CB
15.92
1.85
1.53
1
1
L
56
ILE
N-CA
15.87
1.76
1.46
1
1
J
56
ILE
N-CA
15.86
1.76
1.46
1
1
I
56
ILE
N-CA
15.85
1.76
1.46
1
1
K
56
ILE
N-CA
15.85
1.76
1.46
1
1
K
56
ILE
CA-C
15.84
1.86
1.52
1
1
L
56
ILE
CA-C
15.84
1.86
1.52
1
1
I
56
ILE
CA-C
15.84
1.86
1.52
1
1
J
56
ILE
CA-C
15.82
1.86
1.52
1
1
I
54
SER
CA-C
15.20
1.84
1.52
1
1
J
54
SER
CA-C
15.19
1.84
1.52
1
1
K
54
SER
CA-C
15.18
1.84
1.52
1
1
L
54
SER
CA-C
15.17
1.84
1.52
1
1
L
127
ILE
C-N
14.60
1.53
1.33
1
1
J
127
ILE
C-N
14.58
1.53
1.33
1
1
I
127
ILE
C-N
14.56
1.53
1.33
1
1
K
127
ILE
C-N
14.53
1.53
1.33
1
1
J
55
VAL
N-CA
13.59
1.72
1.46
1
1
K
55
VAL
N-CA
13.58
1.72
1.46
1
1
L
55
VAL
N-CA
13.58
1.72
1.46
1
1
I
55
VAL
N-CA
13.57
1.72
1.46
1
1
L
57
GLU
N-CA
12.84
1.70
1.46
1
1
K
57
GLU
N-CA
12.81
1.70
1.46
1
1
I
57
GLU
N-CA
12.81
1.70
1.46
1
1
J
57
GLU
N-CA
12.80
1.70
1.46
1
1
K
55
VAL
CA-C
12.31
1.78
1.52
1
1
L
55
VAL
CA-C
12.29
1.78
1.52
1
1
I
55
VAL
CA-C
12.28
1.78
1.52
1
1
J
55
VAL
CA-C
12.26
1.78
1.52
1
1
N
129
GLY
C-N
10.94
1.48
1.33
1
1
P
129
GLY
C-N
10.91
1.48
1.33
1
1
O
129
GLY
C-N
10.90
1.48
1.33
1
1
M
129
GLY
C-N
10.88
1.48
1.33
1
1
L
53
PRO
C-N
9.60
1.46
1.33
1
1
K
53
PRO
C-N
9.59
1.46
1.33
1
1
I
53
PRO
C-N
9.57
1.46
1.33
1
1
J
53
PRO
C-N
9.56
1.46
1.33
1
1
M
58
LYS
C-N
9.06
1.46
1.33
1
1
O
58
LYS
C-N
9.00
1.46
1.33
1
1
P
58
LYS
C-N
9.00
1.45
1.33
1
1
N
58
LYS
C-N
8.99
1.45
1.33
1
1
J
54
SER
N-CA
8.78
1.62
1.46
1
1
L
54
SER
N-CA
8.78
1.62
1.46
1
1
K
54
SER
N-CA
8.78
1.62
1.46
1
1
I
54
SER
N-CA
8.77
1.62
1.46
1
1
J
55
VAL
C-N
8.70
1.45
1.33
1
1
I
55
VAL
C-N
8.69
1.45
1.33
1
1
L
55
VAL
C-N
8.69
1.45
1.33
1
1
K
55
VAL
C-N
8.65
1.45
1.33
1
1
L
54
SER
C-N
8.56
1.45
1.33
1
1
I
54
SER
C-N
8.53
1.45
1.33
1
1
K
54
SER
C-N
8.51
1.45
1.33
1
1
J
54
SER
C-N
8.49
1.45
1.33
1
1
J
56
ILE
C-N
8.29
1.45
1.33
1
1
I
56
ILE
C-N
8.24
1.44
1.33
1
1
L
56
ILE
C-N
8.23
1.44
1.33
1
1
K
56
ILE
C-N
8.21
1.44
1.33
1
1
P
40
GLU
C-N
6.30
1.24
1.33
1
1
O
40
GLU
C-N
6.30
1.24
1.33
1
1
M
40
GLU
C-N
6.29
1.24
1.33
1
1
N
40
GLU
C-N
6.25
1.24
1.33
1
1
K
40
GLU
C-N
6.12
1.24
1.33
1
1
I
40
GLU
C-N
6.12
1.24
1.33
1
1
L
40
GLU
C-N
6.11
1.24
1.33
1
1
J
40
GLU
C-N
6.11
1.24
1.33
1
1
P
53
PRO
N-CD
5.59
1.55
1.47
1
1
O
53
PRO
N-CD
5.57
1.55
1.47
1
1
N
53
PRO
N-CD
5.56
1.55
1.47
1
1
M
53
PRO
N-CD
5.53
1.55
1.47
1
1
I
53
PRO
N-CD
5.50
1.55
1.47
1
1
J
53
PRO
N-CD
5.48
1.55
1.47
1
1
K
53
PRO
N-CD
5.47
1.55
1.47
1
1
L
53
PRO
N-CD
5.45
1.55
1.47
1
1
L
109
GLU
C-N
5.33
1.40
1.33
1
1
I
109
GLU
C-N
5.32
1.40
1.33
1
1
N
123
VAL
C-N
5.32
1.25
1.33
1
1
K
109
GLU
C-N
5.31
1.40
1.33
1
1
P
123
VAL
C-N
5.28
1.26
1.33
1
1
J
109
GLU
C-N
5.28
1.40
1.33
1
1
O
123
VAL
C-N
5.25
1.26
1.33
1
1
M
123
VAL
C-N
5.18
1.26
1.33
1
1
L
123
VAL
C-N
5.14
1.26
1.33
1
1
I
123
VAL
C-N
5.11
1.26
1.33
1
1
J
123
VAL
C-N
5.11
1.26
1.33
1
1
K
123
VAL
C-N
5.10
1.26
1.33
1
1
M
130
GLU
C-N
4.88
1.40
1.33
1
1
P
130
GLU
C-N
4.84
1.40
1.33
1
1
O
130
GLU
C-N
4.82
1.40
1.33
1
1
N
130
GLU
C-N
4.80
1.40
1.33
1
1
P
126
GLU
C-N
4.47
1.27
1.33
1
1
N
126
GLU
C-N
4.46
1.27
1.33
1
1

Standard geometry: angle outliers ?

There are 135 bond angle outliers in this entry (0.18% of 75702 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)
L
131
LEU
C-N-CA
32.75
62.75
121.70
1
1
I
131
LEU
C-N-CA
30.10
67.53
121.70
1
1
K
57
GLU
CA-CB-CG
22.34
158.79
114.10
1
1
I
57
GLU
CA-CB-CG
22.34
158.79
114.10
1
1
J
57
GLU
CA-CB-CG
22.34
158.79
114.10
1
1
L
57
GLU
CA-CB-CG
22.33
158.77
114.10
1
1
I
131
LEU
O-C-N
22.32
87.29
123.00
1
1
L
131
LEU
O-C-N
19.92
91.13
123.00
1
1
K
53
PRO
C-N-CA
17.06
152.40
121.70
1
1
L
53
PRO
C-N-CA
17.05
152.39
121.70
1
1
I
53
PRO
C-N-CA
17.05
152.38
121.70
1
1
J
53
PRO
C-N-CA
17.03
152.35
121.70
1
1
K
57
GLU
CB-CG-CD
16.72
141.03
112.60
1
1
I
57
GLU
CB-CG-CD
16.71
141.01
112.60
1
1
L
57
GLU
CB-CG-CD
16.70
141.00
112.60
1
1
J
57
GLU
CB-CG-CD
16.70
140.98
112.60
1
1
L
131
LEU
CA-C-N
15.25
85.70
116.20
1
1
I
131
LEU
CA-C-N
13.53
89.15
116.20
1
1
M
128
ASP
O-C-N
12.70
102.68
123.00
1
1
N
128
ASP
O-C-N
12.69
102.70
123.00
1
1
O
128
ASP
O-C-N
12.67
102.72
123.00
1
1
P
128
ASP
O-C-N
12.67
102.73
123.00
1
1
J
53
PRO
CA-C-N
11.16
93.88
116.20
1
1
K
53
PRO
CA-C-N
11.16
93.89
116.20
1
1
I
53
PRO
CA-C-N
11.15
93.89
116.20
1
1
L
53
PRO
CA-C-N
11.15
93.89
116.20
1
1
L
118
GLU
C-N-CA
10.73
141.02
121.70
1
1
I
118
GLU
C-N-CA
10.73
141.01
121.70
1
1
J
118
GLU
C-N-CA
10.72
140.99
121.70
1
1
K
118
GLU
C-N-CA
10.71
140.97
121.70
1
1
L
55
VAL
N-CA-C
9.99
138.97
111.00
1
1
K
55
VAL
N-CA-C
9.99
138.96
111.00
1
1
I
55
VAL
N-CA-C
9.98
138.94
111.00
1
1
J
55
VAL
N-CA-C
9.97
138.92
111.00
1
1
J
54
SER
CA-C-N
8.53
133.26
116.20
1
1
L
54
SER
CA-C-N
8.51
133.23
116.20
1
1
I
54
SER
CA-C-N
8.51
133.23
116.20
1
1
K
54
SER
CA-C-N
8.50
133.20
116.20
1
1
I
109
GLU
C-N-CA
8.35
106.66
121.70
1
1
L
109
GLU
C-N-CA
8.35
106.67
121.70
1
1
K
109
GLU
C-N-CA
8.34
106.68
121.70
1
1
J
109
GLU
C-N-CA
8.32
106.72
121.70
1
1
N
58
LYS
C-N-CA
7.97
136.04
121.70
1
1
P
58
LYS
C-N-CA
7.96
136.03
121.70
1
1
O
58
LYS
C-N-CA
7.95
136.02
121.70
1
1
M
58
LYS
C-N-CA
7.93
135.98
121.70
1
1
J
56
ILE
N-CA-C
7.63
132.35
111.00
1
1
K
56
ILE
N-CA-C
7.62
132.34
111.00
1
1
I
56
ILE
N-CA-C
7.62
132.34
111.00
1
1
L
56
ILE
N-CA-C
7.62
132.33
111.00
1
1
I
54
SER
N-CA-C
7.10
130.89
111.00
1
1
K
54
SER
N-CA-C
7.10
130.89
111.00
1
1
J
54
SER
N-CA-C
7.10
130.88
111.00
1
1
L
54
SER
N-CA-C
7.10
130.88
111.00
1
1
J
55
VAL
CA-C-N
6.56
129.33
116.20
1
1
I
55
VAL
CA-C-N
6.55
129.29
116.20
1
1
L
55
VAL
CA-C-N
6.54
129.27
116.20
1
1
K
55
VAL
CA-C-N
6.54
129.27
116.20
1
1
I
55
VAL
C-N-CA
6.29
133.03
121.70
1
1
J
55
VAL
C-N-CA
6.29
133.03
121.70
1
1
L
55
VAL
C-N-CA
6.28
133.01
121.70
1
1
K
55
VAL
C-N-CA
6.28
133.00
121.70
1
1
L
58
LYS
N-CA-CB
6.24
121.11
110.50
1
1
J
58
LYS
N-CA-CB
6.21
121.05
110.50
1
1
I
58
LYS
N-CA-CB
6.20
121.05
110.50
1
1
K
58
LYS
N-CA-CB
6.19
121.02
110.50
1
1
K
57
GLU
C-N-CA
6.17
132.80
121.70
1
1
I
57
GLU
C-N-CA
6.15
132.77
121.70
1
1
J
57
GLU
C-N-CA
6.14
132.75
121.70
1
1
L
57
GLU
C-N-CA
6.14
132.74
121.70
1
1
J
109
GLU
CA-C-O
6.02
110.57
120.80
1
1
I
109
GLU
CA-C-O
5.98
110.63
120.80
1
1
L
109
GLU
CA-C-O
5.98
110.63
120.80
1
1
K
109
GLU
CA-C-O
5.98
110.64
120.80
1
1
K
127
ILE
O-C-N
5.53
114.15
123.00
1
1
J
127
ILE
O-C-N
5.51
114.19
123.00
1
1
I
127
ILE
O-C-N
5.49
114.22
123.00
1
1
L
127
ILE
O-C-N
5.49
114.22
123.00
1
1
J
54
SER
CA-C-O
5.27
111.83
120.80
1
1
I
54
SER
CA-C-O
5.25
111.87
120.80
1
1
K
54
SER
CA-C-O
5.24
111.89
120.80
1
1
L
54
SER
CA-C-O
5.24
111.89
120.80
1
1
K
56
ILE
C-N-CA
5.17
131.00
121.70
1
1
L
56
ILE
C-N-CA
5.15
130.97
121.70
1
1
I
56
ILE
C-N-CA
5.15
130.97
121.70
1
1
J
56
ILE
C-N-CA
5.14
130.95
121.70
1
1
L
54
SER
O-C-N
5.08
114.88
123.00
1
1
I
54
SER
O-C-N
5.06
114.90
123.00
1
1
K
54
SER
O-C-N
5.06
114.91
123.00
1
1
J
54
SER
O-C-N
5.06
114.91
123.00
1
1
M
114
ASN
N-CA-C
4.85
124.57
111.00
1
1
O
114
ASN
N-CA-C
4.85
124.57
111.00
1
1
P
114
ASN
N-CA-C
4.85
124.57
111.00
1
1
N
114
ASN
N-CA-C
4.84
124.56
111.00
1
1
N
54
SER
N-CA-C
4.69
97.86
111.00
1
1
O
54
SER
N-CA-C
4.69
97.88
111.00
1
1
M
54
SER
N-CA-C
4.68
97.89
111.00
1
1
N
133
LEU
O-C-N
4.68
115.51
123.00
1
1
P
54
SER
N-CA-C
4.68
97.90
111.00
1
1
P
133
LEU
O-C-N
4.67
115.53
123.00
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
45.94
5088

There are 5088 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)
M:33:PHE:HE1
M:53:PRO:CB
1.63
1
1
L:97:TYR:CZ
N:100:LYS:HE2
1.63
1
1
L:97:TYR:CE2
N:100:LYS:CE
1.62
1
1
P:33:PHE:HE1
P:53:PRO:CB
1.60
1
1
O:155:LEU:HG
O:255:LYS:CD
1.59
1
1
J:98:GLU:CA
P:99:VAL:HA
1.58
1
1
O:159:PRO:HG2
O:253:SER:CB
1.58
1
1
D:569:SER:HB3
K:23:TYR:CD2
1.58
1
1
K:42:TYR:CB
K:133:LEU:HD22
1.57
1
1
I:155:LEU:HG
N:136:HIS:CD2
1.57
1
1
M:37:ARG:CA
M:57:GLU:HG3
1.57
1
1
N:37:ARG:CA
N:57:GLU:HG3
1.57
1
1
O:33:PHE:HE1
O:53:PRO:CB
1.57
1
1
I:149:GLN:HB2
N:131:LEU:C
1.57
1
1
I:55:VAL:C
I:55:VAL:CA
1.56
1
1
N:33:PHE:HE1
N:53:PRO:CB
1.56
1
1
O:159:PRO:CD
O:253:SER:HA
1.56
1
1
L:55:VAL:C
L:55:VAL:CA
1.56
1
1
N:33:PHE:CE1
N:53:PRO:CB
1.56
1
1
B:569:SER:HB3
J:23:TYR:CD2
1.55
1
1
N:33:PHE:CE1
N:53:PRO:HB3
1.55
1
1
O:37:ARG:CA
O:57:GLU:HG3
1.55
1
1
I:57:GLU:CA
I:57:GLU:CB
1.55
1
1
J:57:GLU:CA
J:57:GLU:N
1.54
1
1
P:37:ARG:CA
P:57:GLU:HG3
1.54
1
1
L:57:GLU:CA
L:57:GLU:CB
1.54
1
1
J:97:TYR:CZ
P:100:LYS:HB3
1.54
1
1
O:33:PHE:CE1
O:53:PRO:HB3
1.54
1
1
M:149:GLN:HE21
N:215:MET:CE
1.54
1
1
K:57:GLU:CA
K:57:GLU:N
1.54
1
1
I:155:LEU:CG
N:136:HIS:CG
1.54
1
1
N:155:LEU:HG
N:255:LYS:CD
1.53
1
1
J:98:GLU:HA
P:99:VAL:CA
1.53
1
1
O:159:PRO:CG
O:253:SER:CA
1.53
1
1
P:33:PHE:CE1
P:53:PRO:HB3
1.53
1
1
K:149:GLN:HB2
P:131:LEU:C
1.52
1
1
M:33:PHE:CE1
M:53:PRO:HB3
1.52
1
1
P:37:ARG:N
P:57:GLU:CD
1.52
1
1
K:55:VAL:C
K:55:VAL:CA
1.51
1
1
I:57:GLU:CA
I:57:GLU:N
1.51
1
1
K:54:SER:C
K:54:SER:CA
1.51
1
1
M:37:ARG:N
M:57:GLU:CD
1.51
1
1
J:54:SER:C
J:54:SER:CA
1.50
1
1
J:57:GLU:CA
J:57:GLU:CB
1.50
1
1
J:55:VAL:C
J:55:VAL:CA
1.50
1
1
J:55:VAL:CA
J:55:VAL:N
1.50
1
1
O:155:LEU:HG
O:255:LYS:CE
1.50
1
1
L:142:TYR:CD2
O:138:PHE:O
1.49
1
1
K:57:GLU:CA
K:57:GLU:CB
1.49
1
1
K:92:GLU:CB
M:100:LYS:HZ1
1.49
1
1
L:57:GLU:CA
L:57:GLU:N
1.49
1
1
I:155:LEU:HG
N:136:HIS:CG
1.49
1
1
O:159:PRO:HB2
O:253:SER:C
1.49
1
1
I:155:LEU:CG
N:136:HIS:CB
1.49
1
1
K:92:GLU:HB3
M:100:LYS:NZ
1.49
1
1
L:54:SER:C
L:54:SER:CA
1.48
1
1
M:33:PHE:CE1
M:53:PRO:CB
1.48
1
1
P:37:ARG:CA
P:57:GLU:C
1.48
1
1
P:153:MET:O
P:161:TYR:CE2
1.48
1
1
M:37:ARG:CA
M:57:GLU:C
1.48
1
1
O:37:ARG:N
O:57:GLU:CD
1.48
1
1
L:55:VAL:CA
L:55:VAL:N
1.47
1
1
K:55:VAL:CA
K:55:VAL:N
1.47
1
1
M:149:GLN:CG
N:215:MET:HE1
1.47
1
1
N:40:GLU:CG
N:59:GLN:HE22
1.47
1
1
A:569:SER:HB3
L:23:TYR:CD2
1.47
1
1
I:55:VAL:CA
I:55:VAL:N
1.47
1
1
J:97:TYR:CE2
P:100:LYS:CB
1.47
1
1
O:40:GLU:CG
O:59:GLN:HE22
1.46
1
1
I:54:SER:C
I:54:SER:CA
1.46
1
1
I:155:LEU:CG
N:136:HIS:CD2
1.46
1
1
O:159:PRO:HG2
O:253:SER:CA
1.46
1
1
P:159:PRO:CD
P:161:TYR:HB3
1.46
1
1
J:98:GLU:HB2
P:102:LEU:CD2
1.46
1
1
O:159:PRO:HB3
O:254:GLY:CA
1.46
1
1
N:37:ARG:N
N:57:GLU:CD
1.46
1
1
M:36:LYS:CA
M:57:GLU:HG2
1.45
1
1
P:33:PHE:CE1
P:53:PRO:CB
1.45
1
1
O:36:LYS:CA
O:57:GLU:HG2
1.45
1
1
I:155:LEU:HD12
N:136:HIS:CA
1.45
1
1
J:98:GLU:CB
P:102:LEU:CB
1.45
1
1
J:98:GLU:CB
P:102:LEU:HB2
1.45
1
1
J:97:TYR:CZ
P:100:LYS:N
1.44
1
1
N:36:LYS:CA
N:57:GLU:HG2
1.44
1
1
O:150:THR:CB
O:160:CYS:SG
1.44
1
1
M:149:GLN:CG
N:215:MET:CE
1.44
1
1
P:154:LEU:HD13
P:160:CYS:CB
1.44
1
1
C:569:SER:HB3
I:23:TYR:CD2
1.43
1
1
J:97:TYR:CE2
P:100:LYS:HB3
1.43
1
1
P:36:LYS:CA
P:57:GLU:HG2
1.43
1
1
J:97:TYR:CE2
P:100:LYS:CA
1.43
1
1
L:125:GLU:CB
L:154:LEU:HD21
1.43
1
1
L:153:MET:C
O:136:HIS:CE1
1.43
1
1
N:36:LYS:CA
N:57:GLU:CG
1.43
1
1
O:36:LYS:CA
O:57:GLU:CG
1.43
1
1
L:155:LEU:CD1
O:136:HIS:HB2
1.42
1
1
K:98:GLU:OE1
M:102:LEU:CD2
1.42
1
1
L:142:TYR:CD2
O:138:PHE:C
1.42
1
1
L:98:GLU:HG2
N:102:LEU:N
1.42
1
1
I:154:LEU:N
N:136:HIS:CE1
1.42
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
6664
6398
208
58

There are 58 unique backbone outliers. Detailed list of outliers are tabulated below.

Chain Res Type Models (Total)
A
393
VAL
1
B
393
VAL
1
C
393
VAL
1
D
393
VAL
1
I
34
ASP
1
I
56
ILE
1
I
58
LYS
1
I
59
GLN
1
I
61
PRO
1
I
66
ASN
1
I
119
PHE
1
I
132
LYS
1
J
34
ASP
1
J
56
ILE
1
J
58
LYS
1
J
59
GLN
1
J
61
PRO
1
J
66
ASN
1
J
119
PHE
1
K
34
ASP
1
K
56
ILE
1
K
58
LYS
1
K
59
GLN
1
K
61
PRO
1
K
66
ASN
1
K
119
PHE
1
L
34
ASP
1
L
56
ILE
1
L
58
LYS
1
L
59
GLN
1
L
61
PRO
1
L
66
ASN
1
L
119
PHE
1
L
132
LYS
1
M
28
LEU
1
M
34
ASP
1
M
59
GLN
1
M
135
SER
1
M
151
HIS
1
M
158
LYS
1
N
28
LEU
1
N
34
ASP
1
N
59
GLN
1
N
135
SER
1
N
151
HIS
1
N
158
LYS
1
O
28
LEU
1
O
34
ASP
1
O
59
GLN
1
O
135
SER
1
O
151
HIS
1
O
158
LYS
1
P
28
LEU
1
P
34
ASP
1
P
59
GLN
1
P
135
SER
1
P
151
HIS
1
P
158
LYS
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
6188
4335
1202
651

There are 651 unique sidechain outliers. Detailed list of outliers are tabulated below. The output is limited to 100 rows.

Chain Res Type Models (Total)
A
1
VAL
1
A
271
SER
1
A
372
SER
1
A
389
SER
1
A
458
GLU
1
A
479
ILE
1
A
503
ARG
1
A
600
VAL
1
B
39
ASP
1
B
66
ASN
1
B
83
MET
1
B
118
THR
1
B
169
LYS
1
B
171
LEU
1
B
210
LEU
1
B
271
SER
1
B
364
LYS
1
B
372
SER
1
B
389
SER
1
B
397
SER
1
B
479
ILE
1
B
506
ASN
1
B
600
VAL
1
B
624
VAL
1
C
43
THR
1
C
51
THR
1
C
133
TYR
1
C
266
THR
1
C
271
SER
1
C
288
LYS
1
C
338
ILE
1
C
372
SER
1
C
389
SER
1
C
479
ILE
1
C
503
ARG
1
C
600
VAL
1
D
1
VAL
1
D
5
ASP
1
D
43
THR
1
D
66
ASN
1
D
133
TYR
1
D
210
LEU
1
D
211
VAL
1
D
238
LEU
1
D
271
SER
1
D
277
VAL
1
D
364
LYS
1
D
372
SER
1
D
389
SER
1
D
397
SER
1
D
503
ARG
1
D
600
VAL
1
E
50
ASN
1
E
125
TYR
1
E
195
ILE
1
E
198
TRP
1
E
217
ASN
1
E
368
VAL
1
E
372
ASN
1
F
50
ASN
1
F
125
TYR
1
F
195
ILE
1
F
198
TRP
1
F
217
ASN
1
F
368
VAL
1
F
372
ASN
1
G
50
ASN
1
G
125
TYR
1
G
195
ILE
1
G
198
TRP
1
G
217
ASN
1
G
368
VAL
1
G
372
ASN
1
H
50
ASN
1
H
125
TYR
1
H
195
ILE
1
H
198
TRP
1
H
217
ASN
1
H
368
VAL
1
H
372
ASN
1
I
2
LYS
1
I
4
ILE
1
I
6
ILE
1
I
8
THR
1
I
15
SER
1
I
16
ASP
1
I
18
ILE
1
I
19
GLU
1
I
22
ARG
1
I
23
TYR
1
I
26
SER
1
I
27
GLN
1
I
29
ASP
1
I
30
GLU
1
I
31
LEU
1
I
54
SER
1
I
55
VAL
1
I
56
ILE
1
I
57
GLU
1
I
58
LYS
1