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 59 bond length outliers in this entry (0.06% of 93860 assessed bonds). A summary is provided below.

Chain Res Type Atoms |Z| Observed (Å) Ideal (Å) Model ID (Worst) Models (Total)
L
4
P1L
SG-C7
111.00
3.95
1.73
1
1
H
4
P1L
SG-C7
110.50
3.94
1.73
1
1
HA
4
P1L
SG-C7
110.16
3.94
1.73
1
1
PA
4
P1L
SG-C7
109.22
3.92
1.73
1
1
A
4
P1L
SG-C7
109.14
3.92
1.73
1
1
NA
4
P1L
SG-C7
108.52
3.90
1.73
1
1
X
4
P1L
SG-C7
108.19
3.90
1.73
1
1
V
4
P1L
SG-C7
108.18
3.90
1.73
1
1
S
4
P1L
SG-C7
108.09
3.89
1.73
1
1
C
4
P1L
SG-C7
108.05
3.89
1.73
1
1
UA
4
P1L
SG-C7
107.90
3.89
1.73
1
1
ZA
4
P1L
SG-C7
107.78
3.89
1.73
1
1
AA
4
P1L
SG-C7
107.73
3.89
1.73
1
1
Q
4
P1L
SG-C7
107.71
3.89
1.73
1
1
R
4
P1L
SG-C7
107.67
3.89
1.73
1
1
I
4
P1L
SG-C7
107.62
3.89
1.73
1
1
GA
4
P1L
SG-C7
107.46
3.88
1.73
1
1
BA
4
P1L
SG-C7
107.43
3.88
1.73
1
1
O
4
P1L
SG-C7
107.40
3.88
1.73
1
1
Z
4
P1L
SG-C7
107.35
3.88
1.73
1
1
JA
4
P1L
SG-C7
107.34
3.88
1.73
1
1
CA
4
P1L
SG-C7
107.27
3.88
1.73
1
1
WA
4
P1L
SG-C7
107.04
3.87
1.73
1
1
MA
4
P1L
SG-C7
107.02
3.87
1.73
1
1
LA
4
P1L
SG-C7
107.01
3.87
1.73
1
1
VA
4
P1L
SG-C7
107.01
3.87
1.73
1
1
B
4
P1L
SG-C7
106.91
3.87
1.73
1
1
T
4
P1L
SG-C7
106.75
3.87
1.73
1
1
KA
4
P1L
SG-C7
106.55
3.86
1.73
1
1
U
4
P1L
SG-C7
106.41
3.86
1.73
1
1
FA
4
P1L
SG-C7
106.31
3.86
1.73
1
1
Y
4
P1L
SG-C7
106.31
3.86
1.73
1
1
IA
4
P1L
SG-C7
106.29
3.86
1.73
1
1
M
4
P1L
SG-C7
106.15
3.86
1.73
1
1
DA
4
P1L
SG-C7
106.11
3.86
1.73
1
1
K
4
P1L
SG-C7
106.04
3.85
1.73
1
1
QA
4
P1L
SG-C7
105.92
3.85
1.73
1
1
YA
4
P1L
SG-C7
105.89
3.85
1.73
1
1
F
4
P1L
SG-C7
105.76
3.85
1.73
1
1
XA
4
P1L
SG-C7
105.46
3.84
1.73
1
1
OA
4
P1L
SG-C7
105.41
3.84
1.73
1
1
RA
4
P1L
SG-C7
104.99
3.83
1.73
1
1
TA
4
P1L
SG-C7
104.87
3.83
1.73
1
1
G
4
P1L
SG-C7
104.76
3.83
1.73
1
1
W
4
P1L
SG-C7
104.49
3.82
1.73
1
1
J
4
P1L
SG-C7
104.38
3.82
1.73
1
1
P
4
P1L
SG-C7
104.33
3.82
1.73
1
1
N
4
P1L
SG-C7
104.16
3.82
1.73
1
1
SA
4
P1L
SG-C7
103.93
3.81
1.73
1
1
D
4
P1L
SG-C7
103.88
3.81
1.73
1
1
EA
4
P1L
SG-C7
103.40
3.80
1.73
1
1
E
4
P1L
SG-C7
103.01
3.79
1.73
1
1
I
31
HIS
ND1-CE1
4.43
1.37
1.32
1
1
TA
31
HIS
ND1-CE1
4.26
1.36
1.32
1
1
T
31
HIS
ND1-CE1
4.14
1.36
1.32
1
1
MA
24
ARG
CD-NE
4.12
1.52
1.46
1
1
YA
31
HIS
ND1-CE1
4.11
1.36
1.32
1
1
AA
31
HIS
ND1-CE1
4.08
1.36
1.32
1
1
XA
31
HIS
ND1-CE1
4.04
1.36
1.32
1
1

Standard geometry: angle outliers ?

There are 582 bond angle outliers in this entry (0.46% of 126672 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)
R
179
ASP
CA-CB-CG
9.22
121.82
112.60
1
1
Y
179
ASP
CA-CB-CG
7.37
119.97
112.60
1
1
B
179
ASP
CA-CB-CG
6.68
119.28
112.60
1
1
MA
179
ASP
CA-CB-CG
6.61
119.21
112.60
1
1
HA
179
ASP
CA-CB-CG
6.38
118.98
112.60
1
1
C
179
ASP
CA-CB-CG
6.36
118.96
112.60
1
1
J
138
ASP
CA-CB-CG
6.36
118.96
112.60
1
1
AA
136
ASP
CA-CB-CG
6.35
118.95
112.60
1
1
CA
149
ASN
CA-CB-CG
6.30
118.90
112.60
1
1
N
179
ASP
CA-CB-CG
6.27
118.87
112.60
1
1
L
136
ASP
CA-CB-CG
6.25
118.85
112.60
1
1
H
179
ASP
CA-CB-CG
6.18
118.78
112.60
1
1
W
136
ASP
CA-CB-CG
6.16
118.76
112.60
1
1
DA
115
ASN
CA-CB-CG
6.07
118.67
112.60
1
1
G
115
ASN
CA-CB-CG
6.05
118.65
112.60
1
1
MA
138
ASP
CA-CB-CG
6.04
118.64
112.60
1
1
D
136
ASP
CA-CB-CG
6.04
118.64
112.60
1
1
M
136
ASP
CA-CB-CG
6.03
118.63
112.60
1
1
G
136
ASP
CA-CB-CG
5.97
118.57
112.60
1
1
F
179
ASP
CA-CB-CG
5.95
118.55
112.60
1
1
CA
115
ASN
CA-CB-CG
5.94
118.54
112.60
1
1
YA
136
ASP
CA-CB-CG
5.94
118.54
112.60
1
1
FA
115
ASN
CA-CB-CG
5.92
118.52
112.60
1
1
J
136
ASP
CA-CB-CG
5.90
118.50
112.60
1
1
OA
136
ASP
CA-CB-CG
5.89
118.49
112.60
1
1
E
136
ASP
CA-CB-CG
5.88
118.48
112.60
1
1
EA
179
ASP
CA-CB-CG
5.85
118.45
112.60
1
1
CA
136
ASP
CA-CB-CG
5.84
118.44
112.60
1
1
K
115
ASN
CA-CB-CG
5.80
118.40
112.60
1
1
V
136
ASP
CA-CB-CG
5.78
118.38
112.60
1
1
PA
115
ASN
CA-CB-CG
5.78
118.38
112.60
1
1
WA
136
ASP
CA-CB-CG
5.78
118.38
112.60
1
1
SA
138
ASP
CA-CB-CG
5.77
118.37
112.60
1
1
Q
179
ASP
CA-CB-CG
5.76
118.36
112.60
1
1
NA
136
ASP
CA-CB-CG
5.75
118.35
112.60
1
1
SA
115
ASN
CA-CB-CG
5.74
118.34
112.60
1
1
JA
179
ASP
CA-CB-CG
5.73
118.33
112.60
1
1
MA
136
ASP
CA-CB-CG
5.73
118.33
112.60
1
1
KA
115
ASN
CA-CB-CG
5.72
118.32
112.60
1
1
BA
136
ASP
CA-CB-CG
5.72
118.32
112.60
1
1
L
138
ASP
CA-CB-CG
5.71
118.31
112.60
1
1
QA
136
ASP
CA-CB-CG
5.71
118.31
112.60
1
1
JA
138
ASP
CA-CB-CG
5.70
118.30
112.60
1
1
S
136
ASP
CA-CB-CG
5.69
118.29
112.60
1
1
AA
115
ASN
CA-CB-CG
5.69
118.29
112.60
1
1
K
136
ASP
CA-CB-CG
5.67
118.27
112.60
1
1
WA
115
ASN
CA-CB-CG
5.66
118.26
112.60
1
1
N
149
ASN
CA-CB-CG
5.65
118.25
112.60
1
1
E
115
ASN
CA-CB-CG
5.65
118.25
112.60
1
1
UA
115
ASN
CA-CB-CG
5.64
118.24
112.60
1
1
VA
136
ASP
CA-CB-CG
5.60
118.20
112.60
1
1
CA
179
ASP
CA-CB-CG
5.59
118.19
112.60
1
1
FA
136
ASP
CA-CB-CG
5.59
118.19
112.60
1
1
EA
136
ASP
CA-CB-CG
5.58
118.18
112.60
1
1
KA
138
ASP
CA-CB-CG
5.58
118.18
112.60
1
1
DA
136
ASP
CA-CB-CG
5.54
118.14
112.60
1
1
I
115
ASN
CA-CB-CG
5.52
118.12
112.60
1
1
U
136
ASP
CA-CB-CG
5.50
118.10
112.60
1
1
D
138
ASP
CA-CB-CG
5.49
118.09
112.60
1
1
LA
179
ASP
CA-CB-CG
5.49
118.09
112.60
1
1
BA
115
ASN
CA-CB-CG
5.48
118.08
112.60
1
1
GA
179
ASP
CA-CB-CG
5.47
118.07
112.60
1
1
UA
136
ASP
CA-CB-CG
5.45
118.05
112.60
1
1
PA
104
ASN
CA-CB-CG
5.45
118.05
112.60
1
1
W
179
ASP
CA-CB-CG
5.45
118.05
112.60
1
1
V
89
VAL
C-N-CA
5.42
131.45
121.70
1
1
U
179
ASP
CA-CB-CG
5.41
118.01
112.60
1
1
XA
136
ASP
CA-CB-CG
5.40
118.00
112.60
1
1
Z
136
ASP
CA-CB-CG
5.39
117.99
112.60
1
1
AA
138
ASP
CA-CB-CG
5.38
117.98
112.60
1
1
A
136
ASP
CA-CB-CG
5.38
117.98
112.60
1
1
LA
136
ASP
CA-CB-CG
5.38
117.98
112.60
1
1
IA
136
ASP
CA-CB-CG
5.37
117.97
112.60
1
1
R
138
ASP
CA-CB-CG
5.37
117.97
112.60
1
1
TA
136
ASP
CA-CB-CG
5.32
117.92
112.60
1
1
EA
115
ASN
CA-CB-CG
5.32
117.92
112.60
1
1
GA
136
ASP
CA-CB-CG
5.30
117.90
112.60
1
1
K
179
ASP
CA-CB-CG
5.28
117.88
112.60
1
1
N
136
ASP
CA-CB-CG
5.28
117.88
112.60
1
1
RA
138
ASP
CA-CB-CG
5.27
117.87
112.60
1
1
ZA
115
ASN
CA-CB-CG
5.27
117.87
112.60
1
1
TA
179
ASP
CA-CB-CG
5.26
117.86
112.60
1
1
DA
22
LEU
N-CA-CB
5.26
119.44
110.50
1
1
KA
136
ASP
CA-CB-CG
5.24
117.84
112.60
1
1
X
115
ASN
CA-CB-CG
5.24
117.84
112.60
1
1
HA
115
ASN
CA-CB-CG
5.24
117.84
112.60
1
1
O
136
ASP
CA-CB-CG
5.21
117.81
112.60
1
1
QA
149
ASN
CA-CB-CG
5.21
117.81
112.60
1
1
ZA
136
ASP
CA-CB-CG
5.19
117.79
112.60
1
1
GA
115
ASN
CA-CB-CG
5.18
117.78
112.60
1
1
IA
89
VAL
C-N-CA
5.18
131.02
121.70
1
1
EA
22
LEU
N-CA-CB
5.17
119.29
110.50
1
1
F
136
ASP
CA-CB-CG
5.16
117.76
112.60
1
1
O
138
ASP
CA-CB-CG
5.16
117.76
112.60
1
1
E
149
ASN
CA-CB-CG
5.16
117.76
112.60
1
1
FA
22
LEU
N-CA-CB
5.15
119.26
110.50
1
1
P
136
ASP
CA-CB-CG
5.12
117.72
112.60
1
1
VA
89
VAL
C-N-CA
5.10
130.88
121.70
1
1
J
179
ASP
CA-CB-CG
5.08
117.68
112.60
1
1
T
179
ASP
CA-CB-CG
5.08
117.68
112.60
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
2.61
480

There are 480 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)
SA:86:LEU:HD13
TA:186:VAL:HG12
0.66
1
1
YA:89:VAL:HG21
ZA:185:LYS:HG2
0.56
1
1
XA:89:VAL:HG21
YA:185:LYS:HG2
0.53
1
1
SA:86:LEU:HD22
TA:186:VAL:CG1
0.53
1
1
JA:89:VAL:HG21
KA:185:LYS:HG2
0.52
1
1
SA:86:LEU:HD22
TA:186:VAL:HG11
0.52
1
1
SA:86:LEU:CD1
TA:186:VAL:HG12
0.51
1
1
E:89:VAL:HG21
F:185:LYS:HG2
0.51
1
1
QA:89:VAL:HG21
RA:185:LYS:HG2
0.51
1
1
U:89:VAL:HG21
V:185:LYS:HG2
0.51
1
1
S:89:VAL:HG21
T:185:LYS:HG2
0.51
1
1
F:229:LEU:HB2
G:141:VAL:HG13
0.50
1
1
Z:229:LEU:HB2
AA:141:VAL:HG13
0.50
1
1
TA:89:VAL:HG21
UA:185:LYS:HG2
0.50
1
1
NA:229:LEU:HB2
OA:141:VAL:HG13
0.50
1
1
UA:229:LEU:HB2
VA:141:VAL:HG13
0.50
1
1
H:89:VAL:HG21
I:185:LYS:HG2
0.49
1
1
O:89:VAL:HG21
P:185:LYS:HG2
0.49
1
1
B:229:LEU:HB2
C:141:VAL:HG13
0.49
1
1
QA:229:LEU:HB2
RA:141:VAL:HG13
0.49
1
1
L:229:LEU:HB2
M:141:VAL:HG13
0.49
1
1
DA:229:LEU:HB2
EA:141:VAL:HG13
0.49
1
1
Y:229:LEU:HB2
Z:141:VAL:HG13
0.49
1
1
A:141:VAL:HG13
ZA:229:LEU:HB2
0.49
1
1
EA:229:LEU:HB2
FA:141:VAL:HG13
0.49
1
1
PA:229:LEU:HB2
QA:141:VAL:HG13
0.49
1
1
KA:89:VAL:HG21
LA:185:LYS:HG2
0.49
1
1
I:229:LEU:HB2
J:141:VAL:HG13
0.49
1
1
BA:229:LEU:HB2
CA:141:VAL:HG13
0.49
1
1
K:24:ARG:HH21
K:27:ILE:CD
0.49
1
1
K:229:LEU:HB2
L:141:VAL:HG13
0.49
1
1
HA:229:LEU:HB2
IA:141:VAL:HG13
0.49
1
1
KA:229:LEU:HB2
LA:141:VAL:HG13
0.49
1
1
NA:24:ARG:HH21
NA:27:ILE:CD
0.49
1
1
SA:229:LEU:HB2
TA:141:VAL:HG13
0.49
1
1
JA:229:LEU:HB2
KA:141:VAL:HG13
0.49
1
1
E:229:LEU:HB2
F:141:VAL:HG13
0.48
1
1
J:229:LEU:HB2
K:141:VAL:HG13
0.48
1
1
O:229:LEU:HB2
P:141:VAL:HG13
0.48
1
1
Y:89:VAL:HG21
Z:185:LYS:HG2
0.48
1
1
MA:229:LEU:HB2
NA:141:VAL:HG13
0.48
1
1
FA:229:LEU:HB2
GA:141:VAL:HG13
0.48
1
1
A:229:LEU:HB2
B:141:VAL:HG13
0.48
1
1
G:229:LEU:HB2
H:141:VAL:HG13
0.48
1
1
H:229:LEU:HB2
I:141:VAL:HG13
0.48
1
1
P:229:LEU:HB2
Q:141:VAL:HG13
0.48
1
1
Q:229:LEU:HB2
R:141:VAL:HG13
0.48
1
1
AA:229:LEU:HB2
BA:141:VAL:HG13
0.48
1
1
IA:229:LEU:HB2
JA:141:VAL:HG13
0.48
1
1
OA:229:LEU:HB2
PA:141:VAL:HG13
0.48
1
1
WA:229:LEU:HB2
XA:141:VAL:HG13
0.48
1
1
R:229:LEU:HB2
S:141:VAL:HG13
0.48
1
1
C:229:LEU:HB2
D:141:VAL:HG13
0.48
1
1
M:229:LEU:HB2
N:141:VAL:HG13
0.48
1
1
GA:229:LEU:HB2
HA:141:VAL:HG13
0.48
1
1
TA:229:LEU:HB2
UA:141:VAL:HG13
0.48
1
1
N:89:VAL:HG21
O:185:LYS:HG2
0.48
1
1
V:229:LEU:HB2
W:141:VAL:HG13
0.48
1
1
X:229:LEU:HB2
Y:141:VAL:HG13
0.48
1
1
LA:229:LEU:HB2
MA:141:VAL:HG13
0.48
1
1
D:229:LEU:HB2
E:141:VAL:HG13
0.48
1
1
T:229:LEU:HB2
U:141:VAL:HG13
0.48
1
1
CA:229:LEU:HB2
DA:141:VAL:HG13
0.48
1
1
RA:229:LEU:HB2
SA:141:VAL:HG13
0.48
1
1
D:89:VAL:HG21
E:185:LYS:HG2
0.48
1
1
G:89:VAL:HG21
H:185:LYS:HG2
0.48
1
1
S:229:LEU:HB2
T:141:VAL:HG13
0.48
1
1
Y:24:ARG:HH21
Y:27:ILE:CD
0.48
1
1
VA:229:LEU:HB2
WA:141:VAL:HG13
0.48
1
1
W:229:LEU:HB2
X:141:VAL:HG13
0.47
1
1
HA:24:ARG:HH21
HA:27:ILE:CD
0.47
1
1
XA:229:LEU:HB2
YA:141:VAL:HG13
0.47
1
1
P:89:VAL:HG21
Q:185:LYS:HG2
0.47
1
1
U:229:LEU:HB2
V:141:VAL:HG13
0.47
1
1
FA:89:VAL:HG21
GA:185:LYS:HG2
0.47
1
1
L:24:ARG:HH21
L:27:ILE:CD
0.47
1
1
X:89:VAL:HG21
Y:185:LYS:HG2
0.47
1
1
I:89:VAL:HG21
J:185:LYS:HG2
0.47
1
1
MA:89:VAL:HG21
NA:185:LYS:HG2
0.47
1
1
YA:229:LEU:HB2
ZA:141:VAL:HG13
0.47
1
1
N:229:LEU:HB2
O:141:VAL:HG13
0.46
1
1
U:24:ARG:HH21
U:27:ILE:CD
0.46
1
1
P:24:ARG:HH21
P:27:ILE:CD
0.46
1
1
F:89:VAL:HG21
G:185:LYS:HG2
0.46
1
1
LA:89:VAL:HG21
MA:185:LYS:HG2
0.46
1
1
SA:24:ARG:HH21
SA:27:ILE:CD
0.46
1
1
Z:89:VAL:HG21
AA:185:LYS:HG2
0.46
1
1
GA:24:ARG:HH21
GA:27:ILE:CD
0.46
1
1
FA:24:ARG:HH21
FA:27:ILE:CD
0.45
1
1
OA:24:ARG:HH21
OA:27:ILE:CD
0.45
1
1
L:89:VAL:HG21
M:185:LYS:HG2
0.45
1
1
MA:24:ARG:HH21
MA:27:ILE:CD
0.45
1
1
SA:89:VAL:HG21
TA:185:LYS:HG2
0.45
1
1
LA:24:ARG:HH21
LA:27:ILE:CD
0.45
1
1
M:15:LEU:HD22
N:22:LEU:HD13
0.45
1
1
E:84:ASN:O
F:187:VAL:HA
0.45
1
1
M:24:ARG:HH21
M:27:ILE:CD
0.45
1
1
RA:89:VAL:HG21
SA:185:LYS:HG2
0.45
1
1
XA:84:ASN:O
YA:187:VAL:HA
0.45
1
1
T:24:ARG:HH21
T:27:ILE:CD
0.44
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
11856
10687
989
180

There are 180 unique backbone outliers. Detailed list of outliers are tabulated below. The output is limited to 100 rows.

Chain Res Type Models (Total)
A
182
GLU
1
A
183
ILE
1
A
223
LYS
1
AA
182
GLU
1
AA
183
ILE
1
AA
223
LYS
1
B
131
LYS
1
B
182
GLU
1
B
183
ILE
1
B
206
LYS
1
B
223
LYS
1
BA
182
GLU
1
BA
183
ILE
1
BA
223
LYS
1
C
182
GLU
1
C
183
ILE
1
C
223
LYS
1
CA
131
LYS
1
CA
182
GLU
1
CA
183
ILE
1
CA
223
LYS
1
D
182
GLU
1
D
183
ILE
1
D
223
LYS
1
DA
182
GLU
1
DA
183
ILE
1
DA
223
LYS
1
E
131
LYS
1
E
182
GLU
1
E
183
ILE
1
E
223
LYS
1
EA
182
GLU
1
EA
183
ILE
1
EA
223
LYS
1
F
131
LYS
1
F
182
GLU
1
F
183
ILE
1
F
223
LYS
1
FA
131
LYS
1
FA
182
GLU
1
FA
183
ILE
1
FA
206
LYS
1
FA
223
LYS
1
G
89
VAL
1
G
182
GLU
1
G
183
ILE
1
G
223
LYS
1
GA
182
GLU
1
GA
183
ILE
1
GA
223
LYS
1
H
182
GLU
1
H
183
ILE
1
H
223
LYS
1
HA
182
GLU
1
HA
183
ILE
1
HA
223
LYS
1
I
182
GLU
1
I
183
ILE
1
I
223
LYS
1
IA
182
GLU
1
IA
183
ILE
1
IA
223
LYS
1
J
182
GLU
1
J
183
ILE
1
J
223
LYS
1
JA
131
LYS
1
JA
182
GLU
1
JA
183
ILE
1
JA
223
LYS
1
K
90
LEU
1
K
182
GLU
1
K
183
ILE
1
K
223
LYS
1
KA
182
GLU
1
KA
183
ILE
1
KA
206
LYS
1
KA
223
LYS
1
L
131
LYS
1
L
182
GLU
1
L
183
ILE
1
L
223
LYS
1
LA
182
GLU
1
LA
183
ILE
1
LA
223
LYS
1
M
131
LYS
1
M
182
GLU
1
M
183
ILE
1
M
223
LYS
1
MA
182
GLU
1
MA
183
ILE
1
MA
223
LYS
1
N
131
LYS
1
N
182
GLU
1
N
183
ILE
1
N
223
LYS
1
NA
182
GLU
1
NA
183
ILE
1
NA
223
LYS
1
O
182
GLU
1
O
183
ILE
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
9100
7627
962
511

There are 511 unique sidechain outliers. Detailed list of outliers are tabulated below. The output is limited to 100 rows.

Chain Res Type Models (Total)
A
35
GLN
1
A
47
GLU
1
A
76
ASN
1
A
86
LEU
1
A
87
LYS
1
A
88
SER
1
A
90
LEU
1
A
104
ASN
1
A
115
ASN
1
A
119
ASP
1
A
124
LEU
1
AA
35
GLN
1
AA
76
ASN
1
AA
86
LEU
1
AA
87
LYS
1
AA
88
SER
1
AA
104
ASN
1
AA
119
ASP
1
AA
122
GLU
1
AA
124
LEU
1
B
35
GLN
1
B
87
LYS
1
B
88
SER
1
B
104
ASN
1
B
119
ASP
1
B
122
GLU
1
B
124
LEU
1
B
141
VAL
1
BA
35
GLN
1
BA
47
GLU
1
BA
86
LEU
1
BA
87
LYS
1
BA
88
SER
1
BA
104
ASN
1
BA
119
ASP
1
BA
124
LEU
1
BA
138
ASP
1
BA
141
VAL
1
C
35
GLN
1
C
47
GLU
1
C
86
LEU
1
C
87
LYS
1
C
88
SER
1
C
104
ASN
1
C
119
ASP
1
C
124
LEU
1
CA
35
GLN
1
CA
47
GLU
1
CA
86
LEU
1
CA
87
LYS
1
CA
88
SER
1
CA
104
ASN
1
CA
119
ASP
1
CA
122
GLU
1
CA
124
LEU
1
D
35
GLN
1
D
47
GLU
1
D
76
ASN
1
D
86
LEU
1
D
87
LYS
1
D
88
SER
1
D
90
LEU
1
D
104
ASN
1
D
115
ASN
1
D
119
ASP
1
D
122
GLU
1
D
124
LEU
1
D
177
GLN
1
DA
35
GLN
1
DA
47
GLU
1
DA
76
ASN
1
DA
87
LYS
1
DA
88
SER
1
DA
104
ASN
1
DA
119
ASP
1
DA
122
GLU
1
DA
124
LEU
1
E
35
GLN
1
E
47
GLU
1
E
86
LEU
1
E
87
LYS
1
E
88
SER
1
E
104
ASN
1
E
119
ASP
1
E
122
GLU
1
E
124
LEU
1
EA
35
GLN
1
EA
47
GLU
1
EA
87
LYS
1
EA
88
SER
1
EA
104
ASN
1
EA
119
ASP
1
EA
122
GLU
1
EA
124
LEU
1
F
35
GLN
1
F
86
LEU
1
F
87
LYS
1
F
88
SER
1
F
104
ASN
1
F
115
ASN
1