For models with atomic structures, MolProbity analysis is performed. For models with coarse-grained or multi-scale structures, excluded volume analysis is performed.
| 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
|
| 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
|
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
|
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
|
| 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
|
| Model ID | Analysed | Favored | Allowed | Outliers |
|---|---|---|---|---|
|
1
|
9100
|
7627
|
962
|
511
|
| 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
|