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 19400 bond length outliers in this entry (1.98% of 982002 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) |
|---|---|---|---|---|---|---|---|---|
|
A
|
74
|
HIS
|
ND1-CE1
|
11.60
|
1.44
|
1.32
|
146
|
47
|
|
A
|
507
|
HIS
|
ND1-CE1
|
10.66
|
1.43
|
1.32
|
47
|
57
|
|
A
|
6
|
HIS
|
ND1-CE1
|
10.47
|
1.43
|
1.32
|
200
|
44
|
|
A
|
358
|
ARG
|
CZ-NH2
|
10.26
|
1.20
|
1.33
|
92
|
53
|
|
A
|
74
|
HIS
|
CE1-NE2
|
9.98
|
1.42
|
1.32
|
37
|
44
|
|
A
|
507
|
HIS
|
CE1-NE2
|
9.90
|
1.42
|
1.32
|
112
|
48
|
|
A
|
85
|
HIS
|
ND1-CE1
|
9.83
|
1.42
|
1.32
|
92
|
43
|
|
A
|
91
|
HIS
|
ND1-CE1
|
9.71
|
1.42
|
1.32
|
129
|
52
|
|
A
|
243
|
HIS
|
ND1-CE1
|
9.58
|
1.42
|
1.32
|
159
|
53
|
|
A
|
74
|
HIS
|
CG-ND1
|
9.58
|
1.48
|
1.38
|
100
|
34
|
|
A
|
334
|
HIS
|
CG-CD2
|
9.56
|
1.46
|
1.35
|
105
|
22
|
|
A
|
378
|
HIS
|
CE1-NE2
|
9.51
|
1.42
|
1.32
|
105
|
42
|
|
A
|
6
|
HIS
|
CE1-NE2
|
9.49
|
1.42
|
1.32
|
23
|
46
|
|
A
|
406
|
ARG
|
CD-NE
|
9.47
|
1.59
|
1.46
|
106
|
22
|
|
A
|
378
|
HIS
|
CD2-NE2
|
9.42
|
1.48
|
1.37
|
189
|
23
|
|
A
|
243
|
HIS
|
CE1-NE2
|
9.35
|
1.41
|
1.32
|
157
|
56
|
|
A
|
150
|
HIS
|
CE1-NE2
|
9.30
|
1.41
|
1.32
|
175
|
51
|
|
A
|
527
|
HIS
|
CE1-NE2
|
9.26
|
1.41
|
1.32
|
90
|
52
|
|
A
|
527
|
HIS
|
ND1-CE1
|
9.13
|
1.41
|
1.32
|
206
|
45
|
|
A
|
527
|
HIS
|
CG-ND1
|
9.13
|
1.48
|
1.38
|
25
|
44
|
|
A
|
292
|
ARG
|
CZ-NH2
|
9.10
|
1.21
|
1.33
|
103
|
48
|
|
A
|
291
|
PRO
|
N-CD
|
9.10
|
1.35
|
1.47
|
55
|
16
|
|
A
|
378
|
HIS
|
ND1-CE1
|
9.07
|
1.41
|
1.32
|
97
|
47
|
|
A
|
151
|
ARG
|
CZ-NH2
|
9.04
|
1.21
|
1.33
|
14
|
47
|
|
A
|
91
|
HIS
|
CE1-NE2
|
8.98
|
1.41
|
1.32
|
115
|
50
|
|
A
|
357
|
HIS
|
ND1-CE1
|
8.87
|
1.41
|
1.32
|
64
|
58
|
|
A
|
334
|
HIS
|
CE1-NE2
|
8.84
|
1.41
|
1.32
|
161
|
45
|
|
A
|
81
|
TRP
|
NE1-CE2
|
8.84
|
1.47
|
1.37
|
177
|
26
|
|
A
|
434
|
ARG
|
CD-NE
|
8.84
|
1.58
|
1.46
|
104
|
21
|
|
A
|
507
|
HIS
|
CG-ND1
|
8.78
|
1.47
|
1.38
|
76
|
42
|
|
A
|
417
|
PRO
|
N-CD
|
8.77
|
1.35
|
1.47
|
169
|
19
|
|
A
|
378
|
HIS
|
CG-ND1
|
8.73
|
1.47
|
1.38
|
50
|
55
|
|
A
|
392
|
ARG
|
CZ-NH2
|
8.72
|
1.22
|
1.33
|
173
|
51
|
|
A
|
48
|
ARG
|
CZ-NH2
|
8.68
|
1.22
|
1.33
|
145
|
43
|
|
A
|
85
|
HIS
|
CE1-NE2
|
8.66
|
1.41
|
1.32
|
2
|
45
|
|
A
|
452
|
ARG
|
CZ-NH2
|
8.64
|
1.22
|
1.33
|
151
|
44
|
|
A
|
35
|
THR
|
CB-OG1
|
8.64
|
1.29
|
1.43
|
151
|
17
|
|
A
|
481
|
THR
|
C-N
|
8.63
|
1.45
|
1.33
|
137
|
12
|
|
A
|
7
|
MET
|
C-N
|
8.62
|
1.45
|
1.33
|
41
|
13
|
|
A
|
539
|
ARG
|
CZ-NH2
|
8.61
|
1.22
|
1.33
|
39
|
62
|
|
A
|
357
|
HIS
|
CE1-NE2
|
8.61
|
1.41
|
1.32
|
4
|
53
|
|
A
|
243
|
HIS
|
CG-ND1
|
8.59
|
1.47
|
1.38
|
34
|
37
|
|
A
|
150
|
HIS
|
ND1-CE1
|
8.58
|
1.41
|
1.32
|
61
|
55
|
|
A
|
507
|
HIS
|
CB-CG
|
8.58
|
1.62
|
1.50
|
116
|
23
|
|
A
|
373
|
PHE
|
C-N
|
8.58
|
1.45
|
1.33
|
90
|
11
|
|
A
|
223
|
ARG
|
N-CA
|
8.58
|
1.62
|
1.46
|
118
|
15
|
|
A
|
6
|
HIS
|
CG-ND1
|
8.55
|
1.47
|
1.38
|
27
|
36
|
|
A
|
409
|
GLY
|
CA-C
|
8.52
|
1.67
|
1.52
|
116
|
9
|
|
A
|
153
|
ARG
|
CZ-NH2
|
8.51
|
1.22
|
1.33
|
160
|
60
|
|
A
|
227
|
ARG
|
CZ-NH2
|
8.49
|
1.22
|
1.33
|
35
|
41
|
|
A
|
357
|
HIS
|
CG-ND1
|
8.48
|
1.47
|
1.38
|
116
|
30
|
|
A
|
271
|
SER
|
C-N
|
8.45
|
1.45
|
1.33
|
192
|
9
|
|
A
|
227
|
ARG
|
NE-CZ
|
8.39
|
1.23
|
1.33
|
119
|
24
|
|
A
|
334
|
HIS
|
ND1-CE1
|
8.38
|
1.40
|
1.32
|
54
|
51
|
|
A
|
433
|
TYR
|
C-N
|
8.35
|
1.45
|
1.33
|
92
|
14
|
|
A
|
91
|
HIS
|
CG-ND1
|
8.35
|
1.47
|
1.38
|
13
|
31
|
|
A
|
392
|
ARG
|
CD-NE
|
8.33
|
1.57
|
1.46
|
38
|
20
|
|
A
|
370
|
ARG
|
CD-NE
|
8.31
|
1.57
|
1.46
|
155
|
18
|
|
A
|
358
|
ARG
|
CD-NE
|
8.20
|
1.57
|
1.46
|
178
|
22
|
|
A
|
244
|
ARG
|
CZ-NH1
|
8.20
|
1.21
|
1.32
|
123
|
17
|
|
A
|
570
|
ARG
|
CZ-NH2
|
8.19
|
1.22
|
1.33
|
154
|
38
|
|
A
|
452
|
ARG
|
CD-NE
|
8.18
|
1.57
|
1.46
|
80
|
14
|
|
A
|
570
|
ARG
|
CD-NE
|
8.16
|
1.57
|
1.46
|
108
|
26
|
|
A
|
150
|
HIS
|
CG-CD2
|
8.14
|
1.44
|
1.35
|
128
|
20
|
|
A
|
334
|
HIS
|
CG-ND1
|
8.13
|
1.47
|
1.38
|
129
|
35
|
|
A
|
493
|
ARG
|
CZ-NH2
|
8.13
|
1.22
|
1.33
|
164
|
56
|
|
A
|
548
|
ARG
|
CZ-NH2
|
8.08
|
1.22
|
1.33
|
6
|
44
|
|
A
|
347
|
THR
|
CB-OG1
|
8.06
|
1.30
|
1.43
|
76
|
22
|
|
A
|
434
|
ARG
|
C-N
|
8.04
|
1.44
|
1.33
|
90
|
7
|
|
A
|
183
|
ARG
|
CZ-NH2
|
8.03
|
1.23
|
1.33
|
88
|
56
|
|
A
|
95
|
LEU
|
N-CA
|
8.03
|
1.61
|
1.46
|
143
|
4
|
|
A
|
212
|
THR
|
CB-OG1
|
7.99
|
1.31
|
1.43
|
109
|
13
|
|
A
|
6
|
HIS
|
CD2-NE2
|
7.97
|
1.46
|
1.37
|
175
|
21
|
|
A
|
268
|
ASP
|
C-N
|
7.96
|
1.44
|
1.33
|
60
|
9
|
|
A
|
392
|
ARG
|
CZ-NH1
|
7.94
|
1.21
|
1.32
|
183
|
21
|
|
A
|
362
|
ARG
|
CZ-NH1
|
7.94
|
1.21
|
1.32
|
158
|
18
|
|
A
|
411
|
LEU
|
C-N
|
7.94
|
1.44
|
1.33
|
125
|
8
|
|
A
|
362
|
ARG
|
CZ-NH2
|
7.94
|
1.23
|
1.33
|
151
|
48
|
|
A
|
581
|
THR
|
CB-OG1
|
7.93
|
1.31
|
1.43
|
136
|
21
|
|
A
|
151
|
ARG
|
NE-CZ
|
7.91
|
1.24
|
1.33
|
123
|
17
|
|
A
|
240
|
ARG
|
CZ-NH1
|
7.90
|
1.21
|
1.32
|
193
|
28
|
|
A
|
152
|
ILE
|
C-N
|
7.89
|
1.44
|
1.33
|
193
|
14
|
|
A
|
183
|
ARG
|
CD-NE
|
7.88
|
1.57
|
1.46
|
91
|
23
|
|
A
|
260
|
PRO
|
N-CA
|
7.88
|
1.58
|
1.47
|
56
|
10
|
|
A
|
114
|
TRP
|
NE1-CE2
|
7.83
|
1.46
|
1.37
|
48
|
27
|
|
A
|
79
|
TRP
|
NE1-CE2
|
7.82
|
1.46
|
1.37
|
29
|
31
|
|
A
|
522
|
ARG
|
CZ-NH2
|
7.81
|
1.23
|
1.33
|
42
|
51
|
|
A
|
357
|
HIS
|
CD2-NE2
|
7.77
|
1.46
|
1.37
|
191
|
17
|
|
A
|
341
|
GLN
|
C-N
|
7.75
|
1.44
|
1.33
|
27
|
13
|
|
A
|
244
|
ARG
|
CZ-NH2
|
7.75
|
1.23
|
1.33
|
17
|
42
|
|
A
|
223
|
ARG
|
CZ-NH2
|
7.73
|
1.23
|
1.33
|
153
|
51
|
|
A
|
20
|
ARG
|
CZ-NH2
|
7.71
|
1.23
|
1.33
|
82
|
60
|
|
A
|
299
|
THR
|
N-CA
|
7.71
|
1.60
|
1.46
|
68
|
8
|
|
A
|
358
|
ARG
|
CZ-NH1
|
7.69
|
1.22
|
1.32
|
10
|
29
|
|
A
|
243
|
HIS
|
CD2-NE2
|
7.68
|
1.29
|
1.37
|
193
|
22
|
|
A
|
383
|
GLU
|
C-N
|
7.68
|
1.44
|
1.33
|
138
|
10
|
|
A
|
227
|
ARG
|
CD-NE
|
7.64
|
1.56
|
1.46
|
60
|
14
|
|
A
|
440
|
LEU
|
CA-C
|
7.62
|
1.69
|
1.52
|
8
|
2
|
|
A
|
48
|
ARG
|
NE-CZ
|
7.59
|
1.41
|
1.33
|
82
|
18
|
|
A
|
6
|
HIS
|
CG-CD2
|
7.57
|
1.44
|
1.35
|
60
|
22
|
Standard geometry: angle outliers ?
There are 64907 bond angle outliers in this entry (4.91% of 1320872 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) |
|---|---|---|---|---|---|---|---|---|
|
A
|
229
|
PHE
|
CA-CB-CG
|
16.33
|
130.13
|
113.80
|
19
|
96
|
|
A
|
574
|
ASN
|
OD1-CG-ND2
|
16.06
|
106.54
|
122.60
|
14
|
82
|
|
A
|
541
|
GLN
|
OE1-CD-NE2
|
14.75
|
107.85
|
122.60
|
60
|
88
|
|
A
|
175
|
PHE
|
CA-CB-CG
|
14.72
|
128.52
|
113.80
|
187
|
52
|
|
A
|
150
|
HIS
|
CA-CB-CG
|
14.53
|
128.33
|
113.80
|
155
|
58
|
|
A
|
559
|
GLN
|
OE1-CD-NE2
|
14.46
|
108.14
|
122.60
|
202
|
112
|
|
A
|
274
|
PHE
|
CA-CB-CG
|
14.35
|
128.15
|
113.80
|
152
|
95
|
|
A
|
362
|
ARG
|
NE-CZ-NH2
|
14.19
|
131.97
|
119.20
|
73
|
59
|
|
A
|
220
|
ASN
|
OD1-CG-ND2
|
14.04
|
108.56
|
122.60
|
145
|
87
|
|
A
|
507
|
HIS
|
CA-CB-CG
|
13.90
|
127.70
|
113.80
|
69
|
55
|
|
A
|
412
|
GLN
|
OE1-CD-NE2
|
13.87
|
108.73
|
122.60
|
136
|
94
|
|
A
|
480
|
GLN
|
OE1-CD-NE2
|
13.73
|
108.87
|
122.60
|
134
|
117
|
|
A
|
387
|
GLN
|
OE1-CD-NE2
|
13.68
|
108.92
|
122.60
|
52
|
110
|
|
A
|
289
|
ASN
|
CA-CB-CG
|
13.68
|
126.28
|
112.60
|
144
|
70
|
|
A
|
546
|
GLN
|
OE1-CD-NE2
|
13.67
|
108.93
|
122.60
|
109
|
101
|
|
A
|
184
|
ASP
|
CA-CB-CG
|
13.61
|
126.21
|
112.60
|
198
|
68
|
|
A
|
177
|
ASP
|
CA-CB-CG
|
13.55
|
126.15
|
112.60
|
92
|
81
|
|
A
|
249
|
GLN
|
OE1-CD-NE2
|
13.48
|
109.12
|
122.60
|
92
|
92
|
|
A
|
522
|
ARG
|
NE-CZ-NH1
|
13.37
|
134.87
|
121.50
|
135
|
52
|
|
A
|
359
|
ASP
|
CA-CB-CG
|
13.33
|
125.93
|
112.60
|
92
|
55
|
|
A
|
351
|
GLN
|
OE1-CD-NE2
|
13.26
|
109.34
|
122.60
|
57
|
102
|
|
A
|
580
|
GLN
|
OE1-CD-NE2
|
13.25
|
109.35
|
122.60
|
179
|
110
|
|
A
|
20
|
ARG
|
NE-CZ-NH2
|
13.18
|
131.06
|
119.20
|
147
|
53
|
|
A
|
341
|
GLN
|
OE1-CD-NE2
|
13.18
|
109.42
|
122.60
|
43
|
103
|
|
A
|
174
|
PHE
|
CA-CB-CG
|
13.17
|
126.97
|
113.80
|
13
|
57
|
|
A
|
141
|
GLN
|
OE1-CD-NE2
|
13.14
|
109.46
|
122.60
|
83
|
97
|
|
A
|
441
|
GLN
|
OE1-CD-NE2
|
13.12
|
109.48
|
122.60
|
35
|
104
|
|
A
|
566
|
GLN
|
OE1-CD-NE2
|
13.07
|
109.53
|
122.60
|
38
|
118
|
|
A
|
344
|
GLN
|
OE1-CD-NE2
|
13.04
|
109.56
|
122.60
|
100
|
116
|
|
A
|
519
|
GLN
|
OE1-CD-NE2
|
13.03
|
109.57
|
122.60
|
155
|
108
|
|
A
|
394
|
ASP
|
CA-CB-CG
|
12.95
|
125.55
|
112.60
|
34
|
54
|
|
A
|
500
|
GLN
|
OE1-CD-NE2
|
12.95
|
109.65
|
122.60
|
100
|
96
|
|
A
|
321
|
GLN
|
OE1-CD-NE2
|
12.91
|
109.69
|
122.60
|
184
|
114
|
|
A
|
153
|
ARG
|
NE-CZ-NH2
|
12.91
|
130.82
|
119.20
|
183
|
61
|
|
A
|
392
|
ARG
|
NE-CZ-NH1
|
12.89
|
134.39
|
121.50
|
162
|
61
|
|
A
|
329
|
GLN
|
OE1-CD-NE2
|
12.85
|
109.75
|
122.60
|
110
|
106
|
|
A
|
135
|
ASN
|
OD1-CG-ND2
|
12.83
|
109.77
|
122.60
|
171
|
83
|
|
A
|
334
|
HIS
|
CA-CB-CG
|
12.78
|
126.58
|
113.80
|
43
|
51
|
|
A
|
276
|
ASN
|
OD1-CG-ND2
|
12.78
|
109.82
|
122.60
|
33
|
82
|
|
A
|
392
|
ARG
|
NE-CZ-NH2
|
12.74
|
107.74
|
119.20
|
40
|
55
|
|
A
|
137
|
GLN
|
OE1-CD-NE2
|
12.71
|
109.89
|
122.60
|
48
|
100
|
|
A
|
375
|
ASP
|
CA-CB-CG
|
12.70
|
125.30
|
112.60
|
71
|
72
|
|
A
|
72
|
GLN
|
OE1-CD-NE2
|
12.56
|
110.04
|
122.60
|
87
|
103
|
|
A
|
185
|
PHE
|
CA-CB-CG
|
12.51
|
126.31
|
113.80
|
168
|
72
|
|
A
|
265
|
GLN
|
OE1-CD-NE2
|
12.41
|
110.19
|
122.60
|
112
|
100
|
|
A
|
151
|
ARG
|
NE-CZ-NH2
|
12.40
|
130.36
|
119.20
|
160
|
45
|
|
A
|
178
|
PHE
|
CA-CB-CG
|
12.40
|
126.20
|
113.80
|
16
|
77
|
|
A
|
287
|
GLN
|
OE1-CD-NE2
|
12.38
|
110.22
|
122.60
|
83
|
97
|
|
A
|
399
|
ASN
|
OD1-CG-ND2
|
12.34
|
110.26
|
122.60
|
10
|
76
|
|
A
|
462
|
GLN
|
OE1-CD-NE2
|
12.28
|
110.32
|
122.60
|
72
|
107
|
|
A
|
557
|
GLN
|
OE1-CD-NE2
|
12.25
|
110.35
|
122.60
|
149
|
99
|
|
A
|
171
|
PHE
|
CA-CB-CG
|
12.20
|
126.00
|
113.80
|
102
|
72
|
|
A
|
230
|
PHE
|
CA-CB-CG
|
12.19
|
125.99
|
113.80
|
58
|
52
|
|
A
|
214
|
GLN
|
OE1-CD-NE2
|
12.17
|
110.43
|
122.60
|
111
|
103
|
|
A
|
302
|
ASN
|
OD1-CG-ND2
|
12.17
|
110.43
|
122.60
|
141
|
86
|
|
A
|
358
|
ARG
|
NE-CZ-NH2
|
12.14
|
130.12
|
119.20
|
202
|
67
|
|
A
|
289
|
ASN
|
OD1-CG-ND2
|
12.13
|
110.47
|
122.60
|
49
|
91
|
|
A
|
565
|
PHE
|
CA-CB-CG
|
12.07
|
125.87
|
113.80
|
146
|
78
|
|
A
|
493
|
ARG
|
NE-CZ-NH1
|
12.06
|
133.56
|
121.50
|
46
|
55
|
|
A
|
574
|
ASN
|
CA-CB-CG
|
12.04
|
124.64
|
112.60
|
149
|
53
|
|
A
|
398
|
GLN
|
OE1-CD-NE2
|
12.02
|
110.58
|
122.60
|
119
|
100
|
|
A
|
140
|
ASP
|
CA-CB-CG
|
11.99
|
124.59
|
112.60
|
202
|
79
|
|
A
|
530
|
GLN
|
OE1-CD-NE2
|
11.98
|
110.62
|
122.60
|
125
|
108
|
|
A
|
109
|
ASN
|
OD1-CG-ND2
|
11.97
|
110.63
|
122.60
|
173
|
81
|
|
A
|
20
|
ARG
|
NH1-CZ-NH2
|
11.97
|
103.74
|
119.30
|
147
|
50
|
|
A
|
338
|
GLN
|
OE1-CD-NE2
|
11.92
|
110.68
|
122.60
|
35
|
103
|
|
A
|
129
|
ASN
|
OD1-CG-ND2
|
11.90
|
110.70
|
122.60
|
52
|
97
|
|
A
|
378
|
HIS
|
CA-CB-CG
|
11.90
|
125.70
|
113.80
|
7
|
60
|
|
A
|
194
|
GLN
|
OE1-CD-NE2
|
11.89
|
110.71
|
122.60
|
155
|
105
|
|
A
|
276
|
ASN
|
CA-CB-CG
|
11.83
|
124.43
|
112.60
|
32
|
56
|
|
A
|
357
|
HIS
|
CA-CB-CG
|
11.81
|
101.99
|
113.80
|
97
|
66
|
|
A
|
264
|
GLN
|
OE1-CD-NE2
|
11.77
|
110.83
|
122.60
|
26
|
100
|
|
A
|
308
|
ASP
|
CA-CB-CG
|
11.75
|
124.35
|
112.60
|
42
|
66
|
|
A
|
116
|
PHE
|
CA-CB-CG
|
11.74
|
125.54
|
113.80
|
55
|
86
|
|
A
|
400
|
GLN
|
OE1-CD-NE2
|
11.74
|
110.86
|
122.60
|
138
|
103
|
|
A
|
456
|
GLN
|
OE1-CD-NE2
|
11.70
|
110.90
|
122.60
|
82
|
108
|
|
A
|
188
|
ASP
|
CA-CB-CG
|
11.66
|
124.26
|
112.60
|
135
|
67
|
|
A
|
368
|
PHE
|
CA-CB-CG
|
11.64
|
125.44
|
113.80
|
168
|
72
|
|
A
|
36
|
GLN
|
OE1-CD-NE2
|
11.62
|
110.98
|
122.60
|
125
|
112
|
|
A
|
314
|
ASN
|
OD1-CG-ND2
|
11.60
|
111.00
|
122.60
|
164
|
72
|
|
A
|
525
|
GLN
|
OE1-CD-NE2
|
11.60
|
111.00
|
122.60
|
92
|
106
|
|
A
|
438
|
GLN
|
OE1-CD-NE2
|
11.56
|
111.04
|
122.60
|
36
|
95
|
|
A
|
129
|
ASN
|
CA-CB-CG
|
11.55
|
124.15
|
112.60
|
113
|
56
|
|
A
|
240
|
ARG
|
NH1-CZ-NH2
|
11.53
|
104.31
|
119.30
|
159
|
40
|
|
A
|
515
|
GLN
|
OE1-CD-NE2
|
11.50
|
111.10
|
122.60
|
158
|
98
|
|
A
|
110
|
GLN
|
OE1-CD-NE2
|
11.47
|
111.13
|
122.60
|
22
|
104
|
|
A
|
527
|
HIS
|
CA-CB-CG
|
11.42
|
125.22
|
113.80
|
122
|
55
|
|
A
|
324
|
ASN
|
OD1-CG-ND2
|
11.42
|
111.18
|
122.60
|
191
|
77
|
|
A
|
126
|
PHE
|
CA-CB-CG
|
11.39
|
125.19
|
113.80
|
31
|
77
|
|
A
|
170
|
ASP
|
CA-CB-CG
|
11.38
|
123.98
|
112.60
|
122
|
60
|
|
A
|
103
|
ASP
|
CA-CB-CG
|
11.37
|
123.97
|
112.60
|
148
|
67
|
|
A
|
65
|
PHE
|
CA-CB-CG
|
11.36
|
125.16
|
113.80
|
88
|
62
|
|
A
|
238
|
PHE
|
CA-CB-CG
|
11.34
|
125.14
|
113.80
|
122
|
101
|
|
A
|
539
|
ARG
|
NE-CZ-NH2
|
11.33
|
129.40
|
119.20
|
198
|
48
|
|
A
|
477
|
GLN
|
OE1-CD-NE2
|
11.32
|
111.28
|
122.60
|
116
|
109
|
|
A
|
199
|
ASP
|
CA-CB-CG
|
11.28
|
123.88
|
112.60
|
196
|
77
|
|
A
|
405
|
ASP
|
CA-CB-CG
|
11.24
|
123.84
|
112.60
|
47
|
59
|
|
A
|
216
|
ASP
|
CA-CB-CG
|
11.23
|
123.83
|
112.60
|
201
|
57
|
|
A
|
537
|
ASN
|
OD1-CG-ND2
|
11.22
|
111.38
|
122.60
|
19
|
85
|
|
A
|
236
|
PHE
|
CA-CB-CG
|
11.22
|
125.02
|
113.80
|
98
|
72
|
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
|
2.87
|
27
|
|
2
|
2.76
|
26
|
|
3
|
3.72
|
35
|
|
4
|
2.98
|
28
|
|
5
|
3.51
|
33
|
|
6
|
1.06
|
10
|
|
7
|
0.64
|
6
|
|
8
|
0.85
|
8
|
|
9
|
3.19
|
30
|
|
10
|
1.17
|
11
|
|
11
|
1.06
|
10
|
|
12
|
1.38
|
13
|
|
13
|
2.98
|
28
|
|
14
|
0.96
|
9
|
|
15
|
1.60
|
15
|
|
16
|
0.53
|
5
|
|
17
|
1.70
|
16
|
|
18
|
0.53
|
5
|
|
19
|
3.30
|
31
|
|
20
|
4.04
|
38
|
|
21
|
3.72
|
35
|
|
22
|
3.30
|
31
|
|
23
|
1.28
|
12
|
|
24
|
2.87
|
27
|
|
25
|
1.81
|
17
|
|
26
|
1.49
|
14
|
|
27
|
1.28
|
12
|
|
28
|
1.49
|
14
|
|
29
|
0.96
|
9
|
|
30
|
2.02
|
19
|
|
31
|
1.49
|
14
|
|
32
|
1.49
|
14
|
|
33
|
1.06
|
10
|
|
34
|
1.06
|
10
|
|
35
|
1.06
|
10
|
|
36
|
0.74
|
7
|
|
37
|
1.06
|
10
|
|
38
|
1.17
|
11
|
|
39
|
0.85
|
8
|
|
40
|
1.28
|
12
|
|
41
|
2.87
|
27
|
|
42
|
1.06
|
10
|
|
43
|
1.38
|
13
|
|
44
|
2.23
|
21
|
|
45
|
1.60
|
15
|
|
46
|
1.06
|
10
|
|
47
|
1.06
|
10
|
|
48
|
1.06
|
10
|
|
49
|
0.64
|
6
|
|
50
|
3.72
|
35
|
|
51
|
1.06
|
10
|
|
52
|
0.74
|
7
|
|
53
|
2.98
|
28
|
|
54
|
4.36
|
41
|
|
55
|
4.15
|
39
|
|
56
|
3.72
|
35
|
|
57
|
0.85
|
8
|
|
58
|
0.64
|
6
|
|
59
|
1.38
|
13
|
|
60
|
1.49
|
14
|
|
61
|
0.96
|
9
|
|
62
|
0.64
|
6
|
|
63
|
0.96
|
9
|
|
64
|
0.85
|
8
|
|
65
|
0.96
|
9
|
|
66
|
1.06
|
10
|
|
67
|
2.87
|
27
|
|
68
|
2.13
|
20
|
|
69
|
4.36
|
41
|
|
70
|
1.06
|
10
|
|
71
|
0.85
|
8
|
|
72
|
0.53
|
5
|
|
73
|
1.06
|
10
|
|
74
|
2.02
|
19
|
|
75
|
4.04
|
38
|
|
76
|
1.49
|
14
|
|
77
|
0.74
|
7
|
|
78
|
0.64
|
6
|
|
79
|
1.60
|
15
|
|
80
|
0.85
|
8
|
|
81
|
0.96
|
9
|
|
82
|
0.85
|
8
|
|
83
|
1.17
|
11
|
|
84
|
4.68
|
44
|
|
85
|
1.28
|
12
|
|
86
|
0.96
|
9
|
|
87
|
2.34
|
22
|
|
88
|
3.40
|
32
|
|
89
|
2.98
|
28
|
|
90
|
1.28
|
12
|
|
91
|
2.76
|
26
|
|
92
|
0.85
|
8
|
|
93
|
1.06
|
10
|
|
94
|
3.51
|
33
|
|
95
|
1.49
|
14
|
|
96
|
3.30
|
31
|
|
97
|
0.64
|
6
|
|
98
|
3.72
|
35
|
|
99
|
1.49
|
14
|
|
100
|
1.38
|
13
|
|
101
|
1.38
|
13
|
|
102
|
0.96
|
9
|
|
103
|
1.06
|
10
|
|
104
|
2.13
|
20
|
|
105
|
0.64
|
6
|
|
106
|
0.21
|
2
|
|
107
|
1.60
|
15
|
|
108
|
1.49
|
14
|
|
109
|
1.60
|
15
|
|
110
|
1.17
|
11
|
|
111
|
1.17
|
11
|
|
112
|
0.74
|
7
|
|
113
|
1.70
|
16
|
|
114
|
1.38
|
13
|
|
115
|
0.96
|
9
|
|
116
|
1.17
|
11
|
|
117
|
1.06
|
10
|
|
118
|
0.32
|
3
|
|
119
|
0.74
|
7
|
|
120
|
0.64
|
6
|
|
121
|
1.60
|
15
|
|
122
|
0.74
|
7
|
|
123
|
1.17
|
11
|
|
124
|
1.17
|
11
|
|
125
|
0.74
|
7
|
|
126
|
1.49
|
14
|
|
127
|
0.43
|
4
|
|
128
|
0.53
|
5
|
|
129
|
0.96
|
9
|
|
130
|
1.28
|
12
|
|
131
|
1.38
|
13
|
|
132
|
1.38
|
13
|
|
133
|
0.96
|
9
|
|
134
|
1.17
|
11
|
|
135
|
1.06
|
10
|
|
136
|
0.96
|
9
|
|
137
|
2.02
|
19
|
|
138
|
1.17
|
11
|
|
139
|
1.06
|
10
|
|
140
|
1.38
|
13
|
|
141
|
0.64
|
6
|
|
142
|
3.62
|
34
|
|
143
|
1.38
|
13
|
|
144
|
0.85
|
8
|
|
145
|
1.28
|
12
|
|
146
|
1.28
|
12
|
|
147
|
1.60
|
15
|
|
148
|
1.17
|
11
|
|
149
|
0.53
|
5
|
|
150
|
0.64
|
6
|
|
151
|
1.06
|
10
|
|
152
|
1.49
|
14
|
|
153
|
3.83
|
36
|
|
154
|
0.85
|
8
|
|
155
|
1.38
|
13
|
|
156
|
0.64
|
6
|
|
157
|
1.17
|
11
|
|
158
|
1.28
|
12
|
|
159
|
0.64
|
6
|
|
160
|
1.49
|
14
|
|
161
|
0.21
|
2
|
|
162
|
0.96
|
9
|
|
163
|
0.64
|
6
|
|
164
|
1.38
|
13
|
|
165
|
3.51
|
33
|
|
166
|
1.38
|
13
|
|
167
|
3.72
|
35
|
|
168
|
3.62
|
34
|
|
169
|
1.60
|
15
|
|
170
|
0.64
|
6
|
|
171
|
0.96
|
9
|
|
172
|
1.17
|
11
|
|
173
|
0.96
|
9
|
|
174
|
1.38
|
13
|
|
175
|
1.06
|
10
|
|
176
|
2.55
|
24
|
|
177
|
3.40
|
32
|
|
178
|
1.06
|
10
|
|
179
|
1.17
|
11
|
|
180
|
2.34
|
22
|
|
181
|
3.51
|
33
|
|
182
|
3.30
|
31
|
|
183
|
5.21
|
49
|
|
184
|
3.30
|
31
|
|
185
|
2.87
|
27
|
|
186
|
0.74
|
7
|
|
187
|
1.81
|
17
|
|
188
|
3.30
|
31
|
|
189
|
0.96
|
9
|
|
190
|
1.06
|
10
|
|
191
|
1.49
|
14
|
|
192
|
1.49
|
14
|
|
193
|
1.91
|
18
|
|
194
|
3.62
|
34
|
|
195
|
3.93
|
37
|
|
196
|
2.55
|
24
|
|
197
|
0.43
|
4
|
|
198
|
1.28
|
12
|
|
199
|
0.74
|
7
|
|
200
|
3.93
|
37
|
|
201
|
0.96
|
9
|
|
202
|
1.17
|
11
|
|
203
|
1.81
|
17
|
|
204
|
1.38
|
13
|
|
205
|
1.28
|
12
|
|
206
|
0.64
|
6
|
There are 3198 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) |
|---|---|---|---|---|
|
A:296:LEU:HD12
|
A:315:ALA:HB1
|
0.90
|
200
|
2
|
|
A:353:LEU:HD11
|
A:395:PHE:CZ
|
0.89
|
22
|
6
|
|
A:14:ILE:HD13
|
A:21:LEU:HD21
|
0.83
|
50
|
8
|
|
A:44:VAL:HG22
|
A:45:GLY:H
|
0.81
|
180
|
18
|
|
A:38:MET:HE2
|
A:293:LEU:HD21
|
0.79
|
41
|
3
|
|
A:55:MET:HE2
|
A:95:LEU:HG
|
0.78
|
176
|
3
|
|
A:339:MET:HE1
|
A:356:LEU:HD21
|
0.77
|
139
|
1
|
|
A:247:LEU:H
|
A:247:LEU:HD23
|
0.77
|
189
|
1
|
|
A:14:ILE:HD12
|
A:21:LEU:HD11
|
0.77
|
196
|
2
|
|
A:80:MET:SD
|
A:94:VAL:HG21
|
0.77
|
182
|
6
|
|
A:38:MET:HE1
|
A:293:LEU:HD22
|
0.76
|
19
|
8
|
|
A:38:MET:HE1
|
A:293:LEU:HD21
|
0.76
|
181
|
8
|
|
A:422:VAL:HG21
|
A:471:MET:HE1
|
0.75
|
137
|
1
|
|
A:282:LEU:HD12
|
A:283:SER:H
|
0.74
|
44
|
2
|
|
A:414:ILE:H
|
A:414:ILE:HD12
|
0.73
|
27
|
1
|
|
A:180:TRP:HE1
|
A:182:LEU:HD22
|
0.72
|
89
|
1
|
|
A:7:MET:HE2
|
A:61:LYS:HE3
|
0.72
|
41
|
1
|
|
A:57:LYS:HE3
|
A:266:VAL:HG21
|
0.71
|
120
|
1
|
|
A:152:ILE:HG21
|
A:171:PHE:HE2
|
0.70
|
50
|
1
|
|
A:407:CYS:HB3
|
A:460:ILE:HG21
|
0.70
|
168
|
6
|
|
A:57:LYS:HA
|
A:57:LYS:HE3
|
0.70
|
159
|
1
|
|
A:122:LEU:HD13
|
A:296:LEU:HD22
|
0.70
|
94
|
2
|
|
A:336:GLU:HA
|
A:391:LYS:HE2
|
0.69
|
2
|
1
|
|
A:122:LEU:HD11
|
A:293:LEU:HD12
|
0.69
|
94
|
3
|
|
A:13:LEU:HD13
|
A:14:ILE:HG23
|
0.69
|
172
|
2
|
|
A:114:TRP:CZ2
|
A:304:ILE:HG21
|
0.69
|
89
|
16
|
|
A:80:MET:HE3
|
A:94:VAL:HG21
|
0.69
|
2
|
11
|
|
A:46:LEU:H
|
A:46:LEU:HD13
|
0.68
|
157
|
1
|
|
A:410:LEU:HD11
|
A:414:ILE:HD12
|
0.68
|
139
|
1
|
|
A:55:MET:HE2
|
A:95:LEU:HB3
|
0.68
|
3
|
1
|
|
A:353:LEU:HD11
|
A:395:PHE:CE1
|
0.68
|
20
|
4
|
|
A:174:PHE:CE2
|
A:312:MET:HE2
|
0.68
|
93
|
1
|
|
A:14:ILE:HD11
|
A:78:ILE:HB
|
0.68
|
67
|
6
|
|
A:258:LEU:HD21
|
A:262:PHE:CD2
|
0.68
|
53
|
7
|
|
A:330:LYS:HE2
|
A:334:HIS:CE1
|
0.68
|
176
|
1
|
|
A:31:LEU:HD11
|
A:80:MET:HE3
|
0.68
|
183
|
1
|
|
A:122:LEU:HD13
|
A:296:LEU:HD12
|
0.68
|
193
|
1
|
|
A:40:VAL:HG23
|
A:94:VAL:HG13
|
0.67
|
141
|
6
|
|
A:152:ILE:HG21
|
A:171:PHE:CE2
|
0.67
|
50
|
7
|
|
A:317:LEU:HD22
|
A:376:VAL:HB
|
0.67
|
53
|
1
|
|
A:79:TRP:CG
|
A:80:MET:H
|
0.67
|
194
|
10
|
|
A:121:LEU:HD13
|
A:312:MET:HG2
|
0.67
|
4
|
1
|
|
A:552:LEU:C
|
A:552:LEU:HD13
|
0.67
|
169
|
6
|
|
A:291:PRO:HB2
|
A:322:ILE:HD12
|
0.67
|
134
|
1
|
|
A:120:VAL:HG11
|
A:175:PHE:CE2
|
0.66
|
101
|
1
|
|
A:180:TRP:CD1
|
A:235:CYS:HG
|
0.66
|
45
|
2
|
|
A:342:LYS:HD2
|
A:356:LEU:HD13
|
0.66
|
155
|
1
|
|
A:135:ASN:CG
|
A:136:GLN:H
|
0.66
|
48
|
1
|
|
A:38:MET:HE3
|
A:40:VAL:HB
|
0.65
|
54
|
5
|
|
A:426:ILE:H
|
A:426:ILE:HD12
|
0.65
|
7
|
1
|
|
A:46:LEU:H
|
A:46:LEU:HD12
|
0.65
|
15
|
2
|
|
A:185:PHE:CD2
|
A:237:VAL:HG23
|
0.64
|
24
|
16
|
|
A:177:ASP:HA
|
A:230:PHE:CE1
|
0.64
|
177
|
12
|
|
A:114:TRP:CD1
|
A:300:TYR:HH
|
0.64
|
28
|
1
|
|
A:373:PHE:CZ
|
A:374:LYS:HE3
|
0.64
|
129
|
1
|
|
A:1:MET:HE3
|
A:2:ALA:H
|
0.64
|
153
|
1
|
|
A:316:VAL:HG13
|
A:317:LEU:HD22
|
0.64
|
3
|
2
|
|
A:153:ARG:HH21
|
A:167:ASP:HB2
|
0.64
|
183
|
1
|
|
A:139:MET:HE1
|
A:219:PHE:CZ
|
0.64
|
91
|
1
|
|
A:202:LEU:HD22
|
A:235:CYS:HB2
|
0.64
|
167
|
3
|
|
A:68:GLY:H
|
A:74:HIS:CE1
|
0.63
|
112
|
6
|
|
A:208:LEU:N
|
A:208:LEU:HD22
|
0.63
|
110
|
2
|
|
A:425:GLY:HA2
|
A:478:THR:HG23
|
0.63
|
22
|
1
|
|
A:67:LEU:H
|
A:67:LEU:HD22
|
0.63
|
45
|
2
|
|
A:178:PHE:CZ
|
A:226:ILE:HD11
|
0.63
|
9
|
1
|
|
A:288:VAL:HG23
|
A:292:ARG:HD2
|
0.63
|
176
|
2
|
|
A:146:THR:HG22
|
A:225:CYS:HB2
|
0.63
|
195
|
3
|
|
A:59:ALA:HB2
|
A:81:TRP:HE1
|
0.63
|
168
|
5
|
|
A:77:GLY:HA2
|
A:115:ILE:HD13
|
0.63
|
197
|
1
|
|
A:404:SER:HB3
|
A:460:ILE:HD13
|
0.63
|
67
|
1
|
|
A:295:SER:O
|
A:299:THR:HG23
|
0.63
|
110
|
2
|
|
A:88:LYS:HE3
|
A:91:HIS:CD2
|
0.63
|
114
|
1
|
|
A:82:CYS:HB2
|
A:94:VAL:HG23
|
0.63
|
124
|
1
|
|
A:269:PHE:CE1
|
A:273:ILE:HD11
|
0.63
|
146
|
1
|
|
A:80:MET:HE2
|
A:94:VAL:HG11
|
0.63
|
195
|
2
|
|
A:557:GLN:CD
|
A:562:LYS:HE2
|
0.63
|
203
|
1
|
|
A:253:LEU:HD13
|
A:257:GLU:HG2
|
0.63
|
5
|
1
|
|
A:7:MET:HE1
|
A:61:LYS:HG3
|
0.63
|
153
|
1
|
|
A:567:LYS:HE3
|
A:571:ILE:HD11
|
0.63
|
156
|
1
|
|
A:414:ILE:HG21
|
A:447:TYR:CD2
|
0.63
|
187
|
1
|
|
A:356:LEU:C
|
A:356:LEU:HD13
|
0.63
|
27
|
5
|
|
A:55:MET:HE3
|
A:97:ASP:HB2
|
0.63
|
21
|
2
|
|
A:7:MET:HG3
|
A:81:TRP:CH2
|
0.63
|
33
|
1
|
|
A:300:TYR:CE1
|
A:310:PRO:HG2
|
0.63
|
55
|
1
|
|
A:206:LEU:HD22
|
A:223:ARG:HG2
|
0.62
|
183
|
1
|
|
A:224:LEU:C
|
A:224:LEU:HD13
|
0.62
|
11
|
15
|
|
A:178:PHE:CD2
|
A:233:LYS:HE2
|
0.62
|
58
|
3
|
|
A:410:LEU:O
|
A:414:ILE:HG22
|
0.62
|
165
|
3
|
|
A:208:LEU:HD21
|
A:220:ASN:HB2
|
0.62
|
196
|
1
|
|
A:215:LYS:HA
|
A:215:LYS:HE2
|
0.62
|
92
|
1
|
|
A:250:LEU:HD11
|
A:258:LEU:HD13
|
0.62
|
196
|
1
|
|
A:282:LEU:CD1
|
A:292:ARG:HH11
|
0.62
|
199
|
1
|
|
A:81:TRP:C
|
A:94:VAL:HG23
|
0.62
|
182
|
12
|
|
A:34:ILE:HD11
|
A:92:ILE:HD13
|
0.62
|
44
|
3
|
|
A:87:LYS:HA
|
A:87:LYS:HE3
|
0.62
|
24
|
2
|
|
A:120:VAL:HG23
|
A:175:PHE:CD2
|
0.62
|
188
|
2
|
|
A:121:LEU:HD23
|
A:300:TYR:CD2
|
0.62
|
188
|
3
|
|
A:171:PHE:CE1
|
A:229:PHE:CE1
|
0.62
|
55
|
3
|
|
A:414:ILE:N
|
A:414:ILE:HD12
|
0.62
|
27
|
1
|
|
A:38:MET:HE1
|
A:293:LEU:HD11
|
0.62
|
55
|
2
|
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
|
581
|
527
|
40
|
14
|
|
2
|
581
|
512
|
51
|
18
|
|
3
|
581
|
510
|
57
|
14
|
|
4
|
581
|
512
|
59
|
10
|
|
5
|
581
|
513
|
58
|
10
|
|
6
|
581
|
520
|
54
|
7
|
|
7
|
581
|
530
|
42
|
9
|
|
8
|
581
|
525
|
46
|
10
|
|
9
|
581
|
514
|
53
|
14
|
|
10
|
581
|
515
|
61
|
5
|
|
11
|
581
|
531
|
39
|
11
|
|
12
|
581
|
533
|
41
|
7
|
|
13
|
581
|
504
|
60
|
17
|
|
14
|
581
|
531
|
43
|
7
|
|
15
|
581
|
531
|
45
|
5
|
|
16
|
581
|
527
|
46
|
8
|
|
17
|
581
|
535
|
38
|
8
|
|
18
|
581
|
524
|
49
|
8
|
|
19
|
581
|
522
|
52
|
7
|
|
20
|
581
|
505
|
57
|
19
|
|
21
|
581
|
505
|
60
|
16
|
|
22
|
581
|
512
|
53
|
16
|
|
23
|
581
|
528
|
39
|
14
|
|
24
|
581
|
521
|
48
|
12
|
|
25
|
581
|
511
|
57
|
13
|
|
26
|
581
|
526
|
46
|
9
|
|
27
|
581
|
524
|
48
|
9
|
|
28
|
581
|
536
|
38
|
7
|
|
29
|
581
|
527
|
45
|
9
|
|
30
|
581
|
518
|
51
|
12
|
|
31
|
581
|
527
|
44
|
10
|
|
32
|
581
|
536
|
39
|
6
|
|
33
|
581
|
513
|
52
|
16
|
|
34
|
581
|
521
|
49
|
11
|
|
35
|
581
|
523
|
50
|
8
|
|
36
|
581
|
524
|
50
|
7
|
|
37
|
581
|
528
|
46
|
7
|
|
38
|
581
|
531
|
43
|
7
|
|
39
|
581
|
519
|
52
|
10
|
|
40
|
581
|
529
|
45
|
7
|
|
41
|
581
|
526
|
42
|
13
|
|
42
|
581
|
520
|
45
|
16
|
|
43
|
581
|
526
|
45
|
10
|
|
44
|
581
|
529
|
35
|
17
|
|
45
|
581
|
529
|
45
|
7
|
|
46
|
581
|
516
|
56
|
9
|
|
47
|
581
|
535
|
44
|
2
|
|
48
|
581
|
529
|
49
|
3
|
|
49
|
581
|
519
|
54
|
8
|
|
50
|
581
|
529
|
39
|
13
|
|
51
|
581
|
528
|
42
|
11
|
|
52
|
581
|
536
|
42
|
3
|
|
53
|
581
|
496
|
68
|
17
|
|
54
|
581
|
499
|
67
|
15
|
|
55
|
581
|
524
|
45
|
12
|
|
56
|
581
|
521
|
44
|
16
|
|
57
|
581
|
529
|
44
|
8
|
|
58
|
581
|
511
|
63
|
7
|
|
59
|
581
|
525
|
47
|
9
|
|
60
|
581
|
506
|
62
|
13
|
|
61
|
581
|
513
|
57
|
11
|
|
62
|
581
|
527
|
47
|
7
|
|
63
|
581
|
526
|
45
|
10
|
|
64
|
581
|
520
|
56
|
5
|
|
65
|
581
|
515
|
53
|
13
|
|
66
|
581
|
530
|
39
|
12
|
|
67
|
581
|
534
|
35
|
12
|
|
68
|
581
|
526
|
44
|
11
|
|
69
|
581
|
515
|
57
|
9
|
|
70
|
581
|
538
|
36
|
7
|
|
71
|
581
|
536
|
35
|
10
|
|
72
|
581
|
528
|
44
|
9
|
|
73
|
581
|
519
|
50
|
12
|
|
74
|
581
|
521
|
48
|
12
|
|
75
|
581
|
526
|
44
|
11
|
|
76
|
581
|
524
|
46
|
11
|
|
77
|
581
|
528
|
41
|
12
|
|
78
|
581
|
532
|
46
|
3
|
|
79
|
581
|
521
|
46
|
14
|
|
80
|
581
|
522
|
51
|
8
|
|
81
|
581
|
527
|
47
|
7
|
|
82
|
581
|
531
|
45
|
5
|
|
83
|
581
|
518
|
51
|
12
|
|
84
|
581
|
513
|
56
|
12
|
|
85
|
581
|
528
|
49
|
4
|
|
86
|
581
|
534
|
40
|
7
|
|
87
|
581
|
502
|
65
|
14
|
|
88
|
581
|
528
|
44
|
9
|
|
89
|
581
|
535
|
36
|
10
|
|
90
|
581
|
535
|
40
|
6
|
|
91
|
581
|
516
|
52
|
13
|
|
92
|
581
|
511
|
56
|
14
|
|
93
|
581
|
530
|
39
|
12
|
|
94
|
581
|
528
|
46
|
7
|
|
95
|
581
|
511
|
60
|
10
|
|
96
|
581
|
524
|
44
|
13
|
|
97
|
581
|
515
|
56
|
10
|
|
98
|
581
|
521
|
50
|
10
|
|
99
|
581
|
535
|
34
|
12
|
|
100
|
581
|
528
|
43
|
10
|
|
101
|
581
|
527
|
45
|
9
|
|
102
|
581
|
527
|
46
|
8
|
|
103
|
581
|
539
|
33
|
9
|
|
104
|
581
|
514
|
52
|
15
|
|
105
|
581
|
528
|
47
|
6
|
|
106
|
581
|
536
|
35
|
10
|
|
107
|
581
|
543
|
34
|
4
|
|
108
|
581
|
539
|
38
|
4
|
|
109
|
581
|
528
|
44
|
9
|
|
110
|
581
|
526
|
47
|
8
|
|
111
|
581
|
530
|
45
|
6
|
|
112
|
581
|
524
|
51
|
6
|
|
113
|
581
|
527
|
48
|
6
|
|
114
|
581
|
520
|
52
|
9
|
|
115
|
581
|
509
|
55
|
17
|
|
116
|
581
|
508
|
65
|
8
|
|
117
|
581
|
506
|
65
|
10
|
|
118
|
581
|
529
|
45
|
7
|
|
119
|
581
|
530
|
40
|
11
|
|
120
|
581
|
524
|
50
|
7
|
|
121
|
581
|
533
|
34
|
14
|
|
122
|
581
|
538
|
36
|
7
|
|
123
|
581
|
527
|
49
|
5
|
|
124
|
581
|
528
|
45
|
8
|
|
125
|
581
|
528
|
47
|
6
|
|
126
|
581
|
544
|
28
|
9
|
|
127
|
581
|
531
|
41
|
9
|
|
128
|
581
|
541
|
35
|
5
|
|
129
|
581
|
537
|
37
|
7
|
|
130
|
581
|
520
|
51
|
10
|
|
131
|
581
|
526
|
49
|
6
|
|
132
|
581
|
537
|
39
|
5
|
|
133
|
581
|
533
|
36
|
12
|
|
134
|
581
|
533
|
43
|
5
|
|
135
|
581
|
531
|
41
|
9
|
|
136
|
581
|
526
|
50
|
5
|
|
137
|
581
|
524
|
51
|
6
|
|
138
|
581
|
519
|
56
|
6
|
|
139
|
581
|
530
|
44
|
7
|
|
140
|
581
|
522
|
47
|
12
|
|
141
|
581
|
517
|
54
|
10
|
|
142
|
581
|
522
|
51
|
8
|
|
143
|
581
|
524
|
51
|
6
|
|
144
|
581
|
538
|
35
|
8
|
|
145
|
581
|
526
|
51
|
4
|
|
146
|
581
|
534
|
37
|
10
|
|
147
|
581
|
530
|
39
|
12
|
|
148
|
581
|
536
|
37
|
8
|
|
149
|
581
|
522
|
51
|
8
|
|
150
|
581
|
542
|
37
|
2
|
|
151
|
581
|
532
|
39
|
10
|
|
152
|
581
|
518
|
50
|
13
|
|
153
|
581
|
533
|
41
|
7
|
|
154
|
581
|
531
|
38
|
12
|
|
155
|
581
|
531
|
40
|
10
|
|
156
|
581
|
530
|
42
|
9
|
|
157
|
581
|
537
|
35
|
9
|
|
158
|
581
|
522
|
53
|
6
|
|
159
|
581
|
529
|
40
|
12
|
|
160
|
581
|
521
|
50
|
10
|
|
161
|
581
|
529
|
41
|
11
|
|
162
|
581
|
527
|
44
|
10
|
|
163
|
581
|
532
|
40
|
9
|
|
164
|
581
|
514
|
58
|
9
|
|
165
|
581
|
499
|
74
|
8
|
|
166
|
581
|
531
|
46
|
4
|
|
167
|
581
|
537
|
39
|
5
|
|
168
|
581
|
534
|
40
|
7
|
|
169
|
581
|
540
|
34
|
7
|
|
170
|
581
|
531
|
45
|
5
|
|
171
|
581
|
536
|
36
|
9
|
|
172
|
581
|
533
|
40
|
8
|
|
173
|
581
|
514
|
55
|
12
|
|
174
|
581
|
528
|
40
|
13
|
|
175
|
581
|
528
|
49
|
4
|
|
176
|
581
|
536
|
36
|
9
|
|
177
|
581
|
507
|
63
|
11
|
|
178
|
581
|
527
|
46
|
8
|
|
179
|
581
|
529
|
47
|
5
|
|
180
|
581
|
522
|
51
|
8
|
|
181
|
581
|
504
|
68
|
9
|
|
182
|
581
|
509
|
56
|
16
|
|
183
|
581
|
505
|
58
|
18
|
|
184
|
581
|
512
|
51
|
18
|
|
185
|
581
|
519
|
54
|
8
|
|
186
|
581
|
518
|
52
|
11
|
|
187
|
581
|
536
|
31
|
14
|
|
188
|
581
|
527
|
43
|
11
|
|
189
|
581
|
529
|
42
|
10
|
|
190
|
581
|
519
|
53
|
9
|
|
191
|
581
|
524
|
47
|
10
|
|
192
|
581
|
533
|
44
|
4
|
|
193
|
581
|
538
|
30
|
13
|
|
194
|
581
|
528
|
43
|
10
|
|
195
|
581
|
503
|
63
|
15
|
|
196
|
581
|
536
|
35
|
10
|
|
197
|
581
|
530
|
38
|
13
|
|
198
|
581
|
526
|
46
|
9
|
|
199
|
581
|
532
|
39
|
10
|
|
200
|
581
|
514
|
54
|
13
|
|
201
|
581
|
506
|
63
|
12
|
|
202
|
581
|
541
|
33
|
7
|
|
203
|
581
|
533
|
40
|
8
|
|
204
|
581
|
532
|
42
|
7
|
|
205
|
581
|
536
|
39
|
6
|
|
206
|
581
|
537
|
40
|
4
|
| Chain | Res | Type | Models (Total) |
|---|---|---|---|
|
A
|
165
|
VAL
|
121
|
|
A
|
12
|
CYS
|
70
|
|
A
|
108
|
ASP
|
58
|
|
A
|
565
|
PHE
|
50
|
|
A
|
452
|
ARG
|
45
|
|
A
|
176
|
PRO
|
40
|
|
A
|
80
|
MET
|
30
|
|
A
|
109
|
ASN
|
30
|
|
A
|
374
|
LYS
|
30
|
|
A
|
63
|
LYS
|
28
|
|
A
|
64
|
GLY
|
27
|
|
A
|
48
|
ARG
|
26
|
|
A
|
161
|
ASN
|
24
|
|
A
|
71
|
VAL
|
23
|
|
A
|
239
|
ASP
|
23
|
|
A
|
241
|
PRO
|
23
|
|
A
|
285
|
GLY
|
22
|
|
A
|
428
|
SER
|
22
|
|
A
|
10
|
PRO
|
21
|
|
A
|
134
|
ILE
|
21
|
|
A
|
564
|
GLY
|
21
|
|
A
|
426
|
ILE
|
19
|
|
A
|
34
|
ILE
|
18
|
|
A
|
193
|
GLY
|
17
|
|
A
|
231
|
PRO
|
17
|
|
A
|
49
|
THR
|
16
|
|
A
|
68
|
GLY
|
16
|
|
A
|
242
|
VAL
|
16
|
|
A
|
11
|
MET
|
15
|
|
A
|
255
|
ASP
|
14
|
|
A
|
378
|
HIS
|
14
|
|
A
|
77
|
GLY
|
13
|
|
A
|
189
|
LEU
|
13
|
|
A
|
283
|
SER
|
13
|
|
A
|
346
|
PRO
|
13
|
|
A
|
50
|
GLY
|
12
|
|
A
|
232
|
LYS
|
12
|
|
A
|
280
|
LYS
|
12
|
|
A
|
290
|
GLY
|
12
|
|
A
|
373
|
PHE
|
12
|
|
A
|
457
|
ALA
|
12
|
|
A
|
480
|
GLN
|
12
|
|
A
|
5
|
ILE
|
11
|
|
A
|
9
|
GLY
|
11
|
|
A
|
156
|
SER
|
11
|
|
A
|
233
|
LYS
|
11
|
|
A
|
372
|
SER
|
11
|
|
A
|
425
|
GLY
|
11
|
|
A
|
432
|
GLY
|
11
|
|
A
|
172
|
VAL
|
10
|
|
A
|
186
|
SER
|
10
|
|
A
|
375
|
ASP
|
10
|
|
A
|
451
|
PRO
|
10
|
|
A
|
566
|
GLN
|
10
|
|
A
|
18
|
ASN
|
9
|
|
A
|
69
|
SER
|
9
|
|
A
|
110
|
GLN
|
9
|
|
A
|
144
|
TYR
|
9
|
|
A
|
279
|
THR
|
9
|
|
A
|
318
|
ALA
|
9
|
|
A
|
320
|
ALA
|
9
|
|
A
|
468
|
LYS
|
9
|
|
A
|
35
|
THR
|
8
|
|
A
|
99
|
GLU
|
8
|
|
A
|
152
|
ILE
|
8
|
|
A
|
192
|
ASP
|
8
|
|
A
|
310
|
PRO
|
8
|
|
A
|
377
|
ASP
|
8
|
|
A
|
477
|
GLN
|
8
|
|
A
|
481
|
THR
|
8
|
|
A
|
3
|
SER
|
7
|
|
A
|
7
|
MET
|
7
|
|
A
|
90
|
GLY
|
7
|
|
A
|
102
|
GLY
|
7
|
|
A
|
206
|
LEU
|
7
|
|
A
|
211
|
GLY
|
7
|
|
A
|
277
|
SER
|
7
|
|
A
|
284
|
GLY
|
7
|
|
A
|
455
|
ILE
|
7
|
|
A
|
483
|
THR
|
7
|
|
A
|
32
|
SER
|
6
|
|
A
|
51
|
LYS
|
6
|
|
A
|
60
|
GLY
|
6
|
|
A
|
70
|
THR
|
6
|
|
A
|
73
|
SER
|
6
|
|
A
|
143
|
TYR
|
6
|
|
A
|
154
|
SER
|
6
|
|
A
|
158
|
PRO
|
6
|
|
A
|
185
|
PHE
|
6
|
|
A
|
286
|
ILE
|
6
|
|
A
|
316
|
VAL
|
6
|
|
A
|
322
|
ILE
|
6
|
|
A
|
343
|
VAL
|
6
|
|
A
|
347
|
THR
|
6
|
|
A
|
376
|
VAL
|
6
|
|
A
|
413
|
VAL
|
6
|
|
A
|
456
|
GLN
|
6
|
|
A
|
6
|
HIS
|
5
|
|
A
|
66
|
SER
|
5
|
|
A
|
74
|
HIS
|
5
|
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
|
524
|
335
|
87
|
102
|
|
2
|
524
|
341
|
83
|
100
|
|
3
|
524
|
325
|
95
|
104
|
|
4
|
524
|
325
|
97
|
102
|
|
5
|
524
|
325
|
97
|
102
|
|
6
|
524
|
449
|
46
|
29
|
|
7
|
524
|
444
|
57
|
23
|
|
8
|
524
|
437
|
65
|
22
|
|
9
|
524
|
339
|
83
|
102
|
|
10
|
524
|
447
|
50
|
27
|
|
11
|
524
|
459
|
48
|
17
|
|
12
|
524
|
440
|
61
|
23
|
|
13
|
524
|
317
|
100
|
107
|
|
14
|
524
|
437
|
72
|
15
|
|
15
|
524
|
440
|
60
|
24
|
|
16
|
524
|
452
|
54
|
18
|
|
17
|
524
|
457
|
51
|
16
|
|
18
|
524
|
456
|
48
|
20
|
|
19
|
524
|
325
|
85
|
114
|
|
20
|
524
|
307
|
99
|
118
|
|
21
|
524
|
325
|
93
|
106
|
|
22
|
524
|
340
|
90
|
94
|
|
23
|
524
|
461
|
40
|
23
|
|
24
|
524
|
324
|
96
|
104
|
|
25
|
524
|
445
|
55
|
24
|
|
26
|
524
|
451
|
56
|
17
|
|
27
|
524
|
436
|
54
|
34
|
|
28
|
524
|
446
|
58
|
20
|
|
29
|
524
|
462
|
43
|
19
|
|
30
|
524
|
329
|
93
|
102
|
|
31
|
524
|
439
|
55
|
30
|
|
32
|
524
|
460
|
46
|
18
|
|
33
|
524
|
407
|
87
|
30
|
|
34
|
524
|
454
|
52
|
18
|
|
35
|
524
|
450
|
47
|
27
|
|
36
|
524
|
448
|
53
|
23
|
|
37
|
524
|
451
|
54
|
19
|
|
38
|
524
|
451
|
47
|
26
|
|
39
|
524
|
450
|
51
|
23
|
|
40
|
524
|
434
|
61
|
29
|
|
41
|
524
|
325
|
109
|
90
|
|
42
|
524
|
460
|
42
|
22
|
|
43
|
524
|
423
|
64
|
37
|
|
44
|
524
|
334
|
89
|
101
|
|
45
|
524
|
467
|
38
|
19
|
|
46
|
524
|
417
|
67
|
40
|
|
47
|
524
|
441
|
53
|
30
|
|
48
|
524
|
453
|
55
|
16
|
|
49
|
524
|
466
|
44
|
14
|
|
50
|
524
|
343
|
86
|
95
|
|
51
|
524
|
454
|
49
|
21
|
|
52
|
524
|
442
|
53
|
29
|
|
53
|
524
|
331
|
89
|
104
|
|
54
|
524
|
319
|
95
|
110
|
|
55
|
524
|
359
|
81
|
84
|
|
56
|
524
|
326
|
91
|
107
|
|
57
|
524
|
450
|
54
|
20
|
|
58
|
524
|
451
|
55
|
18
|
|
59
|
524
|
449
|
49
|
26
|
|
60
|
524
|
424
|
61
|
39
|
|
61
|
524
|
421
|
54
|
49
|
|
62
|
524
|
448
|
54
|
22
|
|
63
|
524
|
453
|
47
|
24
|
|
64
|
524
|
431
|
67
|
26
|
|
65
|
524
|
433
|
63
|
28
|
|
66
|
524
|
448
|
53
|
23
|
|
67
|
524
|
326
|
95
|
103
|
|
68
|
524
|
414
|
66
|
44
|
|
69
|
524
|
336
|
79
|
109
|
|
70
|
524
|
454
|
51
|
19
|
|
71
|
524
|
465
|
44
|
15
|
|
72
|
524
|
463
|
50
|
11
|
|
73
|
524
|
436
|
67
|
21
|
|
74
|
524
|
350
|
89
|
85
|
|
75
|
524
|
321
|
102
|
101
|
|
76
|
524
|
446
|
58
|
20
|
|
77
|
524
|
463
|
46
|
15
|
|
78
|
524
|
457
|
50
|
17
|
|
79
|
524
|
468
|
41
|
15
|
|
80
|
524
|
457
|
48
|
19
|
|
81
|
524
|
465
|
38
|
21
|
|
82
|
524
|
448
|
57
|
19
|
|
83
|
524
|
459
|
49
|
16
|
|
84
|
524
|
334
|
99
|
91
|
|
85
|
524
|
441
|
60
|
23
|
|
86
|
524
|
468
|
36
|
20
|
|
87
|
524
|
317
|
87
|
120
|
|
88
|
524
|
353
|
65
|
106
|
|
89
|
524
|
337
|
86
|
101
|
|
90
|
524
|
450
|
54
|
20
|
|
91
|
524
|
418
|
66
|
40
|
|
92
|
524
|
428
|
62
|
34
|
|
93
|
524
|
448
|
52
|
24
|
|
94
|
524
|
343
|
88
|
93
|
|
95
|
524
|
460
|
49
|
15
|
|
96
|
524
|
347
|
80
|
97
|
|
97
|
524
|
439
|
60
|
25
|
|
98
|
524
|
350
|
81
|
93
|
|
99
|
524
|
442
|
61
|
21
|
|
100
|
524
|
455
|
53
|
16
|
|
101
|
524
|
456
|
51
|
17
|
|
102
|
524
|
418
|
72
|
34
|
|
103
|
524
|
451
|
52
|
21
|
|
104
|
524
|
417
|
65
|
42
|
|
105
|
524
|
461
|
42
|
21
|
|
106
|
524
|
446
|
57
|
21
|
|
107
|
524
|
457
|
48
|
19
|
|
108
|
524
|
457
|
42
|
25
|
|
109
|
524
|
448
|
59
|
17
|
|
110
|
524
|
457
|
47
|
20
|
|
111
|
524
|
443
|
61
|
20
|
|
112
|
524
|
465
|
37
|
22
|
|
113
|
524
|
438
|
57
|
29
|
|
114
|
524
|
456
|
47
|
21
|
|
115
|
524
|
441
|
53
|
30
|
|
116
|
524
|
440
|
53
|
31
|
|
117
|
524
|
449
|
52
|
23
|
|
118
|
524
|
459
|
45
|
20
|
|
119
|
524
|
465
|
47
|
12
|
|
120
|
524
|
438
|
65
|
21
|
|
121
|
524
|
455
|
56
|
13
|
|
122
|
524
|
470
|
38
|
16
|
|
123
|
524
|
461
|
45
|
18
|
|
124
|
524
|
448
|
53
|
23
|
|
125
|
524
|
456
|
48
|
20
|
|
126
|
524
|
461
|
43
|
20
|
|
127
|
524
|
456
|
60
|
8
|
|
128
|
524
|
468
|
41
|
15
|
|
129
|
524
|
456
|
52
|
16
|
|
130
|
524
|
455
|
51
|
18
|
|
131
|
524
|
455
|
51
|
18
|
|
132
|
524
|
451
|
51
|
22
|
|
133
|
524
|
442
|
60
|
22
|
|
134
|
524
|
445
|
45
|
34
|
|
135
|
524
|
454
|
51
|
19
|
|
136
|
524
|
460
|
50
|
14
|
|
137
|
524
|
454
|
47
|
23
|
|
138
|
524
|
456
|
49
|
19
|
|
139
|
524
|
450
|
55
|
19
|
|
140
|
524
|
452
|
53
|
19
|
|
141
|
524
|
436
|
55
|
33
|
|
142
|
524
|
337
|
72
|
115
|
|
143
|
524
|
430
|
70
|
24
|
|
144
|
524
|
466
|
39
|
19
|
|
145
|
524
|
437
|
69
|
18
|
|
146
|
524
|
455
|
51
|
18
|
|
147
|
524
|
442
|
55
|
27
|
|
148
|
524
|
441
|
50
|
33
|
|
149
|
524
|
450
|
60
|
14
|
|
150
|
524
|
466
|
43
|
15
|
|
151
|
524
|
436
|
58
|
30
|
|
152
|
524
|
451
|
48
|
25
|
|
153
|
524
|
345
|
80
|
99
|
|
154
|
524
|
446
|
53
|
25
|
|
155
|
524
|
427
|
67
|
30
|
|
156
|
524
|
456
|
52
|
16
|
|
157
|
524
|
430
|
60
|
34
|
|
158
|
524
|
437
|
57
|
30
|
|
159
|
524
|
426
|
68
|
30
|
|
160
|
524
|
442
|
55
|
27
|
|
161
|
524
|
458
|
51
|
15
|
|
162
|
524
|
430
|
61
|
33
|
|
163
|
524
|
450
|
60
|
14
|
|
164
|
524
|
431
|
66
|
27
|
|
165
|
524
|
318
|
98
|
108
|
|
166
|
524
|
457
|
49
|
18
|
|
167
|
524
|
346
|
78
|
100
|
|
168
|
524
|
356
|
79
|
89
|
|
169
|
524
|
449
|
53
|
22
|
|
170
|
524
|
447
|
60
|
17
|
|
171
|
524
|
450
|
54
|
20
|
|
172
|
524
|
453
|
55
|
16
|
|
173
|
524
|
459
|
43
|
22
|
|
174
|
524
|
436
|
63
|
25
|
|
175
|
524
|
429
|
63
|
32
|
|
176
|
524
|
336
|
90
|
98
|
|
177
|
524
|
333
|
96
|
95
|
|
178
|
524
|
450
|
57
|
17
|
|
179
|
524
|
461
|
46
|
17
|
|
180
|
524
|
435
|
65
|
24
|
|
181
|
524
|
320
|
91
|
113
|
|
182
|
524
|
327
|
94
|
103
|
|
183
|
524
|
300
|
101
|
123
|
|
184
|
524
|
333
|
97
|
94
|
|
185
|
524
|
347
|
87
|
90
|
|
186
|
524
|
447
|
52
|
25
|
|
187
|
524
|
336
|
96
|
92
|
|
188
|
524
|
331
|
86
|
107
|
|
189
|
524
|
466
|
38
|
20
|
|
190
|
524
|
436
|
57
|
31
|
|
191
|
524
|
453
|
45
|
26
|
|
192
|
524
|
448
|
58
|
18
|
|
193
|
524
|
416
|
71
|
37
|
|
194
|
524
|
332
|
96
|
96
|
|
195
|
524
|
321
|
102
|
101
|
|
196
|
524
|
350
|
96
|
78
|
|
197
|
524
|
463
|
46
|
15
|
|
198
|
524
|
430
|
62
|
32
|
|
199
|
524
|
452
|
52
|
20
|
|
200
|
524
|
318
|
98
|
108
|
|
201
|
524
|
426
|
64
|
34
|
|
202
|
524
|
455
|
48
|
21
|
|
203
|
524
|
429
|
64
|
31
|
|
204
|
524
|
447
|
49
|
28
|
|
205
|
524
|
421
|
68
|
35
|
|
206
|
524
|
430
|
63
|
31
|
| Chain | Res | Type | Models (Total) |
|---|---|---|---|
|
A
|
292
|
ARG
|
87
|
|
A
|
294
|
GLU
|
81
|
|
A
|
13
|
LEU
|
75
|
|
A
|
40
|
VAL
|
69
|
|
A
|
528
|
LEU
|
69
|
|
A
|
114
|
TRP
|
67
|
|
A
|
453
|
LYS
|
63
|
|
A
|
127
|
VAL
|
60
|
|
A
|
41
|
VAL
|
57
|
|
A
|
552
|
LEU
|
56
|
|
A
|
233
|
LYS
|
55
|
|
A
|
531
|
LEU
|
54
|
|
A
|
435
|
LEU
|
53
|
|
A
|
78
|
ILE
|
52
|
|
A
|
223
|
ARG
|
51
|
|
A
|
317
|
LEU
|
51
|
|
A
|
350
|
LEU
|
51
|
|
A
|
482
|
LEU
|
51
|
|
A
|
39
|
VAL
|
50
|
|
A
|
229
|
PHE
|
50
|
|
A
|
208
|
LEU
|
49
|
|
A
|
579
|
LEU
|
49
|
|
A
|
46
|
LEU
|
47
|
|
A
|
67
|
LEU
|
47
|
|
A
|
165
|
VAL
|
47
|
|
A
|
379
|
LEU
|
47
|
|
A
|
274
|
PHE
|
46
|
|
A
|
384
|
LEU
|
46
|
|
A
|
95
|
LEU
|
45
|
|
A
|
543
|
LEU
|
45
|
|
A
|
561
|
LEU
|
43
|
|
A
|
151
|
ARG
|
42
|
|
A
|
183
|
ARG
|
42
|
|
A
|
356
|
LEU
|
42
|
|
A
|
131
|
ILE
|
41
|
|
A
|
506
|
LEU
|
41
|
|
A
|
134
|
ILE
|
40
|
|
A
|
61
|
LYS
|
39
|
|
A
|
265
|
GLN
|
39
|
|
A
|
391
|
LYS
|
39
|
|
A
|
14
|
ILE
|
38
|
|
A
|
406
|
ARG
|
38
|
|
A
|
224
|
LEU
|
37
|
|
A
|
226
|
ILE
|
37
|
|
A
|
298
|
LEU
|
37
|
|
A
|
354
|
LEU
|
37
|
|
A
|
443
|
LEU
|
37
|
|
A
|
293
|
LEU
|
36
|
|
A
|
54
|
LEU
|
35
|
|
A
|
143
|
TYR
|
35
|
|
A
|
309
|
LEU
|
35
|
|
A
|
465
|
LEU
|
35
|
|
A
|
542
|
LEU
|
35
|
|
A
|
101
|
LEU
|
34
|
|
A
|
121
|
LEU
|
34
|
|
A
|
145
|
VAL
|
34
|
|
A
|
92
|
ILE
|
33
|
|
A
|
129
|
ASN
|
33
|
|
A
|
266
|
VAL
|
33
|
|
A
|
282
|
LEU
|
33
|
|
A
|
155
|
LYS
|
32
|
|
A
|
175
|
PHE
|
32
|
|
A
|
237
|
VAL
|
32
|
|
A
|
550
|
LEU
|
32
|
|
A
|
80
|
MET
|
31
|
|
A
|
179
|
VAL
|
31
|
|
A
|
247
|
LEU
|
31
|
|
A
|
554
|
LEU
|
31
|
|
A
|
4
|
GLU
|
30
|
|
A
|
51
|
LYS
|
30
|
|
A
|
55
|
MET
|
30
|
|
A
|
120
|
VAL
|
30
|
|
A
|
187
|
LEU
|
30
|
|
A
|
322
|
ILE
|
30
|
|
A
|
330
|
LYS
|
30
|
|
A
|
374
|
LYS
|
30
|
|
A
|
48
|
ARG
|
29
|
|
A
|
115
|
ILE
|
29
|
|
A
|
153
|
ARG
|
29
|
|
A
|
162
|
GLU
|
29
|
|
A
|
288
|
VAL
|
29
|
|
A
|
413
|
VAL
|
29
|
|
A
|
560
|
LEU
|
29
|
|
A
|
5
|
ILE
|
28
|
|
A
|
220
|
ASN
|
28
|
|
A
|
251
|
GLU
|
28
|
|
A
|
367
|
VAL
|
28
|
|
A
|
34
|
ILE
|
27
|
|
A
|
28
|
LEU
|
26
|
|
A
|
56
|
ASN
|
26
|
|
A
|
104
|
VAL
|
26
|
|
A
|
182
|
LEU
|
26
|
|
A
|
286
|
ILE
|
26
|
|
A
|
357
|
HIS
|
26
|
|
A
|
427
|
TYR
|
26
|
|
A
|
475
|
ILE
|
26
|
|
A
|
565
|
PHE
|
26
|
|
A
|
58
|
LEU
|
25
|
|
A
|
180
|
TRP
|
25
|
|
A
|
426
|
ILE
|
25
|
PrISM precision analysis ?
Regions of low
high precision, defined as the variability among the models that satisfy the input data and calculated as the density-weighted root mean-square fluctuation (RMSF) from the bead/atom center of density, annotated and visualized using PrISM.
The per-bead precision is computed from the deposited ensemble of superposed integrative models.
High- and low-precision regions are then determined by clustering beads of similar precision based on their proximity in the structure.
Only coarse-grained beads (or CA atoms for atomic models) of deposited models are used for assessment and visualization, and three projections for each representative model are generated.
PrISM analysis for Ensemble 1 (models deposited/total: 100/100).
.
PrISM analysis for Ensemble 2 (models deposited/total: 106/106).
.
