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 no bond length outliers.Standard geometry: angle outliers ?
There are 320 bond angle outliers in this entry (0.88% of 36512 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
|
336
|
GLY
|
C-N-CA
|
8.54
|
137.06
|
121.70
|
3
|
2
|
|
A
|
338
|
LYS
|
C-N-CA
|
8.43
|
136.87
|
121.70
|
8
|
5
|
|
A
|
322
|
ASP
|
C-N-CA
|
8.00
|
136.09
|
121.70
|
1
|
1
|
|
A
|
339
|
ASP
|
O-C-N
|
7.92
|
110.33
|
123.00
|
4
|
2
|
|
A
|
218
|
LYS
|
C-N-CA
|
7.64
|
135.45
|
121.70
|
6
|
1
|
|
A
|
317
|
ARG
|
C-N-CA
|
7.56
|
135.31
|
121.70
|
6
|
2
|
|
A
|
339
|
ASP
|
C-N-CA
|
7.48
|
135.17
|
121.70
|
10
|
2
|
|
A
|
321
|
ILE
|
C-N-CA
|
7.23
|
108.69
|
121.70
|
1
|
2
|
|
A
|
169
|
GLY
|
C-N-CA
|
6.96
|
134.23
|
121.70
|
7
|
2
|
|
A
|
3
|
LYS
|
C-N-CA
|
6.96
|
134.23
|
121.70
|
9
|
3
|
|
A
|
325
|
ALA
|
CA-C-N
|
6.94
|
127.30
|
116.90
|
6
|
1
|
|
A
|
2
|
LYS
|
C-N-CA
|
6.91
|
134.14
|
121.70
|
5
|
3
|
|
A
|
339
|
ASP
|
C-CA-CB
|
6.74
|
122.90
|
110.10
|
4
|
1
|
|
A
|
26
|
ASN
|
OD1-CG-ND2
|
6.71
|
115.89
|
122.60
|
10
|
4
|
|
A
|
316
|
GLN
|
C-N-CA
|
6.65
|
133.67
|
121.70
|
1
|
5
|
|
A
|
342
|
THR
|
C-N-CA
|
6.56
|
133.51
|
121.70
|
4
|
2
|
|
A
|
206
|
PRO
|
C-CA-CB
|
6.33
|
122.12
|
110.10
|
6
|
1
|
|
A
|
77
|
ASP
|
CA-CB-CG
|
6.30
|
118.90
|
112.60
|
4
|
2
|
|
A
|
212
|
THR
|
C-N-CA
|
6.26
|
132.96
|
121.70
|
7
|
1
|
|
A
|
45
|
ILE
|
C-N-CA
|
6.21
|
132.88
|
121.70
|
3
|
2
|
|
A
|
220
|
ASP
|
CA-CB-CG
|
6.21
|
118.81
|
112.60
|
7
|
1
|
|
A
|
126
|
ASP
|
CA-CB-CG
|
6.12
|
118.72
|
112.60
|
10
|
1
|
|
A
|
343
|
GLN
|
C-CA-CB
|
6.11
|
121.72
|
110.10
|
8
|
1
|
|
A
|
99
|
GLN
|
OE1-CD-NE2
|
6.01
|
116.59
|
122.60
|
8
|
9
|
|
A
|
343
|
GLN
|
CA-C-N
|
6.00
|
125.90
|
116.90
|
8
|
1
|
|
A
|
329
|
ARG
|
C-N-CA
|
5.96
|
132.42
|
121.70
|
8
|
1
|
|
A
|
341
|
VAL
|
C-N-CA
|
5.92
|
132.35
|
121.70
|
4
|
1
|
|
A
|
322
|
ASP
|
C-CA-CB
|
5.91
|
121.34
|
110.10
|
1
|
1
|
|
A
|
308
|
GLY
|
C-N-CA
|
5.85
|
132.22
|
121.70
|
1
|
4
|
|
A
|
55
|
GLN
|
OE1-CD-NE2
|
5.84
|
116.76
|
122.60
|
1
|
2
|
|
A
|
323
|
CYS
|
C-N-CA
|
5.82
|
132.18
|
121.70
|
8
|
2
|
|
A
|
217
|
LEU
|
C-N-CA
|
5.82
|
132.18
|
121.70
|
6
|
1
|
|
A
|
235
|
GLN
|
OE1-CD-NE2
|
5.76
|
116.84
|
122.60
|
9
|
10
|
|
A
|
208
|
PRO
|
C-N-CA
|
5.75
|
132.04
|
121.70
|
1
|
2
|
|
A
|
202
|
PRO
|
C-N-CA
|
5.71
|
131.98
|
121.70
|
6
|
1
|
|
A
|
193
|
GLN
|
OE1-CD-NE2
|
5.69
|
116.91
|
122.60
|
7
|
6
|
|
A
|
324
|
LEU
|
CA-CB-CG
|
5.62
|
135.98
|
116.30
|
1
|
1
|
|
A
|
1
|
MET
|
C-N-CA
|
5.62
|
131.81
|
121.70
|
1
|
3
|
|
A
|
309
|
ASN
|
C-N-CA
|
5.62
|
131.81
|
121.70
|
8
|
4
|
|
A
|
20
|
GLN
|
OE1-CD-NE2
|
5.58
|
117.02
|
122.60
|
5
|
5
|
|
A
|
193
|
GLN
|
C-N-CA
|
5.50
|
131.60
|
121.70
|
5
|
1
|
|
A
|
263
|
ARG
|
C-N-CA
|
5.50
|
131.60
|
121.70
|
6
|
2
|
|
A
|
340
|
VAL
|
CA-CB-CG1
|
5.50
|
119.75
|
110.40
|
10
|
1
|
|
A
|
317
|
ARG
|
N-CA-C
|
5.50
|
126.39
|
111.00
|
1
|
1
|
|
A
|
319
|
ALA
|
C-N-CA
|
5.49
|
131.59
|
121.70
|
7
|
1
|
|
A
|
345
|
GLN
|
OE1-CD-NE2
|
5.44
|
117.16
|
122.60
|
3
|
9
|
|
A
|
50
|
PRO
|
N-CA-CB
|
5.44
|
108.98
|
103.00
|
10
|
1
|
|
A
|
180
|
ASN
|
OD1-CG-ND2
|
5.40
|
117.20
|
122.60
|
4
|
1
|
|
A
|
38
|
GLN
|
OE1-CD-NE2
|
5.39
|
117.21
|
122.60
|
2
|
8
|
|
A
|
315
|
LYS
|
C-N-CA
|
5.30
|
131.24
|
121.70
|
5
|
2
|
|
A
|
337
|
ILE
|
C-N-CA
|
5.28
|
131.21
|
121.70
|
6
|
1
|
|
A
|
25
|
ASP
|
C-N-CA
|
5.27
|
131.19
|
121.70
|
4
|
1
|
|
A
|
213
|
LYS
|
C-N-CA
|
5.26
|
131.16
|
121.70
|
5
|
2
|
|
A
|
65
|
GLN
|
OE1-CD-NE2
|
5.21
|
117.39
|
122.60
|
5
|
9
|
|
A
|
320
|
LEU
|
C-N-CA
|
5.21
|
131.08
|
121.70
|
1
|
1
|
|
A
|
170
|
ASP
|
CA-CB-CG
|
5.20
|
117.80
|
112.60
|
5
|
1
|
|
A
|
166
|
ASN
|
OD1-CG-ND2
|
5.18
|
117.42
|
122.60
|
5
|
4
|
|
A
|
328
|
ARG
|
C-N-CA
|
5.16
|
130.99
|
121.70
|
5
|
3
|
|
A
|
254
|
SER
|
C-N-CA
|
5.15
|
130.97
|
121.70
|
5
|
1
|
|
A
|
255
|
VAL
|
C-N-CA
|
5.14
|
130.96
|
121.70
|
10
|
1
|
|
A
|
96
|
GLN
|
OE1-CD-NE2
|
5.11
|
117.49
|
122.60
|
5
|
10
|
|
A
|
211
|
GLN
|
OE1-CD-NE2
|
5.09
|
117.51
|
122.60
|
4
|
2
|
|
A
|
344
|
PRO
|
C-N-CA
|
5.05
|
130.78
|
121.70
|
2
|
1
|
|
A
|
316
|
GLN
|
OE1-CD-NE2
|
5.02
|
117.58
|
122.60
|
4
|
5
|
|
A
|
240
|
GLN
|
OE1-CD-NE2
|
5.02
|
117.58
|
122.60
|
8
|
9
|
|
A
|
334
|
VAL
|
C-N-CA
|
5.02
|
130.73
|
121.70
|
5
|
1
|
|
A
|
197
|
ALA
|
CA-C-O
|
5.01
|
112.29
|
120.80
|
8
|
1
|
|
A
|
282
|
VAL
|
CA-CB-CG1
|
4.99
|
118.89
|
110.40
|
10
|
1
|
|
A
|
195
|
GLU
|
C-N-CA
|
4.98
|
130.67
|
121.70
|
7
|
1
|
|
A
|
170
|
ASP
|
C-N-CA
|
4.98
|
130.66
|
121.70
|
5
|
1
|
|
A
|
328
|
ARG
|
NE-CZ-NH2
|
4.97
|
123.68
|
119.20
|
6
|
1
|
|
A
|
216
|
THR
|
CA-CB-CG2
|
4.94
|
118.90
|
110.50
|
9
|
1
|
|
A
|
286
|
ILE
|
CA-CB-CG2
|
4.94
|
118.89
|
110.50
|
10
|
1
|
|
A
|
218
|
LYS
|
CA-C-N
|
4.92
|
126.04
|
116.20
|
6
|
2
|
|
A
|
318
|
ALA
|
C-N-CA
|
4.91
|
130.55
|
121.70
|
8
|
2
|
|
A
|
113
|
ASP
|
CA-CB-CG
|
4.90
|
117.50
|
112.60
|
3
|
1
|
|
A
|
343
|
GLN
|
OE1-CD-NE2
|
4.87
|
117.73
|
122.60
|
6
|
6
|
|
A
|
319
|
ALA
|
N-CA-CB
|
4.87
|
103.10
|
110.40
|
1
|
1
|
|
A
|
135
|
ASN
|
C-N-CA
|
4.82
|
130.37
|
121.70
|
4
|
1
|
|
A
|
82
|
MET
|
CA-CB-CG
|
4.81
|
104.48
|
114.10
|
8
|
1
|
|
A
|
244
|
GLN
|
OE1-CD-NE2
|
4.80
|
117.80
|
122.60
|
4
|
10
|
|
A
|
313
|
ASN
|
OD1-CG-ND2
|
4.80
|
117.80
|
122.60
|
10
|
1
|
|
A
|
153
|
THR
|
CA-C-N
|
4.80
|
124.09
|
116.90
|
3
|
1
|
|
A
|
324
|
LEU
|
C-N-CA
|
4.75
|
130.25
|
121.70
|
1
|
1
|
|
A
|
67
|
ASN
|
OD1-CG-ND2
|
4.74
|
117.86
|
122.60
|
4
|
1
|
|
A
|
199
|
VAL
|
N-CA-C
|
4.72
|
97.79
|
111.00
|
8
|
1
|
|
A
|
13
|
ALA
|
C-N-CA
|
4.71
|
130.18
|
121.70
|
5
|
1
|
|
A
|
323
|
CYS
|
CA-C-N
|
4.70
|
125.61
|
116.20
|
1
|
1
|
|
A
|
37
|
SER
|
C-CA-CB
|
4.68
|
118.99
|
110.10
|
4
|
1
|
|
A
|
262
|
ASP
|
CA-CB-CG
|
4.66
|
117.26
|
112.60
|
4
|
1
|
|
A
|
46
|
ASN
|
OD1-CG-ND2
|
4.65
|
117.95
|
122.60
|
2
|
1
|
|
A
|
163
|
GLN
|
OE1-CD-NE2
|
4.65
|
117.95
|
122.60
|
6
|
7
|
|
A
|
253
|
GLY
|
C-N-CA
|
4.63
|
130.04
|
121.70
|
10
|
3
|
|
A
|
319
|
ALA
|
N-CA-C
|
4.62
|
123.93
|
111.00
|
6
|
2
|
|
A
|
345
|
GLN
|
C-N-CA
|
4.60
|
129.98
|
121.70
|
5
|
2
|
|
A
|
46
|
ASN
|
C-N-CA
|
4.59
|
129.96
|
121.70
|
3
|
2
|
|
A
|
159
|
ARG
|
NE-CZ-NH2
|
4.58
|
123.32
|
119.20
|
10
|
2
|
|
A
|
338
|
LYS
|
CA-C-N
|
4.58
|
125.35
|
116.20
|
8
|
1
|
|
A
|
172
|
HIS
|
CB-CG-CD2
|
4.57
|
125.26
|
131.20
|
8
|
4
|
|
A
|
167
|
ASN
|
CA-CB-CG
|
4.56
|
117.16
|
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
|
4.82
|
25
|
|
2
|
3.86
|
20
|
|
3
|
0.77
|
4
|
|
4
|
6.56
|
34
|
|
5
|
3.09
|
16
|
|
6
|
3.28
|
17
|
|
7
|
4.05
|
21
|
|
8
|
8.87
|
46
|
|
9
|
9.26
|
48
|
|
10
|
5.78
|
30
|
There are 261 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:230:LEU:HD22
|
A:284:TYR:CE2
|
0.90
|
9
|
2
|
|
A:230:LEU:HD13
|
A:284:TYR:CD1
|
0.86
|
10
|
1
|
|
A:322:ASP:C
|
A:324:LEU:HB2
|
0.86
|
1
|
1
|
|
A:286:ILE:HD13
|
A:295:ILE:HD13
|
0.82
|
10
|
2
|
|
A:217:LEU:HA
|
A:345:GLN:HA
|
0.82
|
9
|
1
|
|
A:238:LEU:HB3
|
A:285:LEU:HD21
|
0.77
|
8
|
1
|
|
A:258:LEU:CD2
|
A:330:VAL:H
|
0.77
|
8
|
2
|
|
A:261:THR:HG22
|
A:273:LEU:CD2
|
0.76
|
8
|
1
|
|
A:241:LEU:HD22
|
A:340:VAL:HG21
|
0.70
|
4
|
1
|
|
A:238:LEU:CB
|
A:285:LEU:HD21
|
0.68
|
8
|
1
|
|
A:258:LEU:HD22
|
A:329:ARG:HA
|
0.67
|
9
|
3
|
|
A:123:TRP:CZ2
|
A:169:GLY:HA2
|
0.67
|
9
|
1
|
|
A:101:THR:HG22
|
A:119:GLY:HA3
|
0.66
|
5
|
1
|
|
A:322:ASP:O
|
A:324:LEU:HB2
|
0.65
|
1
|
1
|
|
A:278:ALA:HB1
|
A:297:ALA:HB1
|
0.65
|
1
|
4
|
|
A:165:THR:HB
|
A:168:ILE:HD11
|
0.64
|
9
|
2
|
|
A:94:LYS:HE3
|
A:126:ASP:HB2
|
0.64
|
10
|
1
|
|
A:230:LEU:HD13
|
A:284:TYR:CG
|
0.64
|
10
|
1
|
|
A:258:LEU:CD2
|
A:300:MET:HE2
|
0.64
|
4
|
1
|
|
A:209:GLU:HB3
|
A:217:LEU:HD13
|
0.64
|
8
|
1
|
|
A:261:THR:HG22
|
A:273:LEU:HD23
|
0.64
|
8
|
1
|
|
A:333:GLU:O
|
A:334:VAL:HG23
|
0.64
|
5
|
1
|
|
A:211:GLN:O
|
A:212:THR:HG23
|
0.63
|
5
|
1
|
|
A:302:GLU:CD
|
A:320:LEU:HD11
|
0.63
|
5
|
1
|
|
A:39:TYR:CE1
|
A:82:MET:HE2
|
0.63
|
9
|
1
|
|
A:209:GLU:CB
|
A:217:LEU:HB3
|
0.62
|
2
|
1
|
|
A:323:CYS:N
|
A:324:LEU:HB2
|
0.62
|
1
|
1
|
|
A:210:VAL:O
|
A:217:LEU:HD12
|
0.61
|
8
|
1
|
|
A:43:GLY:CA
|
A:176:THR:HG21
|
0.60
|
6
|
2
|
|
A:200:VAL:HG13
|
A:269:TYR:CE1
|
0.60
|
9
|
1
|
|
A:248:LEU:HD11
|
A:339:ASP:HB2
|
0.60
|
4
|
1
|
|
A:42:THR:HG21
|
A:82:MET:HE1
|
0.59
|
10
|
1
|
|
A:123:TRP:CZ2
|
A:169:GLY:CA
|
0.59
|
9
|
1
|
|
A:230:LEU:HD11
|
A:284:TYR:CZ
|
0.59
|
7
|
1
|
|
A:24:LYS:H
|
A:193:GLN:NE2
|
0.58
|
5
|
1
|
|
A:215:PHE:CE2
|
A:217:LEU:HD11
|
0.58
|
8
|
1
|
|
A:230:LEU:HD22
|
A:284:TYR:CD2
|
0.58
|
10
|
2
|
|
A:286:ILE:HG12
|
A:295:ILE:HD12
|
0.57
|
4
|
1
|
|
A:111:ASP:CG
|
A:143:VAL:HG13
|
0.57
|
4
|
1
|
|
A:230:LEU:HD13
|
A:284:TYR:CE1
|
0.57
|
10
|
1
|
|
A:258:LEU:HD22
|
A:330:VAL:H
|
0.57
|
8
|
1
|
|
A:39:TYR:CD1
|
A:82:MET:HE1
|
0.56
|
8
|
1
|
|
A:123:TRP:HZ3
|
A:125:ALA:HB2
|
0.56
|
9
|
1
|
|
A:144:PHE:HB2
|
A:164:TRP:CD1
|
0.56
|
5
|
1
|
|
A:33:LYS:C
|
A:35:GLY:H
|
0.56
|
4
|
1
|
|
A:341:VAL:O
|
A:342:THR:HG23
|
0.56
|
10
|
1
|
|
A:19:ALA:HA
|
A:191:PHE:CZ
|
0.56
|
7
|
2
|
|
A:39:TYR:CE1
|
A:53:GLU:HB2
|
0.56
|
5
|
1
|
|
A:39:TYR:CZ
|
A:178:PRO:CG
|
0.56
|
1
|
1
|
|
A:287:SER:C
|
A:346:ALA:HB3
|
0.55
|
4
|
1
|
|
A:230:LEU:HB3
|
A:284:TYR:CE1
|
0.55
|
9
|
1
|
|
A:124:ARG:HH21
|
A:136:HIS:CE1
|
0.55
|
9
|
1
|
|
A:217:LEU:HD23
|
A:345:GLN:HA
|
0.55
|
9
|
1
|
|
A:306:VAL:O
|
A:307:THR:HG23
|
0.55
|
2
|
2
|
|
A:199:VAL:C
|
A:201:ALA:H
|
0.55
|
8
|
1
|
|
A:282:VAL:HG13
|
A:295:ILE:HG21
|
0.55
|
4
|
3
|
|
A:43:GLY:HA3
|
A:176:THR:HG21
|
0.55
|
2
|
1
|
|
A:218:LYS:C
|
A:346:ALA:HA
|
0.55
|
9
|
1
|
|
A:197:ALA:O
|
A:198:PRO:C
|
0.55
|
8
|
3
|
|
A:290:ILE:HG21
|
A:295:ILE:HD11
|
0.54
|
4
|
1
|
|
A:39:TYR:CZ
|
A:178:PRO:HG3
|
0.54
|
1
|
1
|
|
A:123:TRP:CH2
|
A:169:GLY:HA3
|
0.54
|
9
|
1
|
|
A:43:GLY:HA2
|
A:176:THR:HG21
|
0.54
|
6
|
1
|
|
A:250:PRO:HG2
|
A:338:LYS:HE3
|
0.54
|
1
|
1
|
|
A:282:VAL:HG22
|
A:295:ILE:CG2
|
0.54
|
9
|
2
|
|
A:215:PHE:HE2
|
A:217:LEU:HD11
|
0.53
|
8
|
1
|
|
A:121:MET:HE2
|
A:123:TRP:HB3
|
0.53
|
7
|
1
|
|
A:230:LEU:HB2
|
A:284:TYR:CZ
|
0.53
|
10
|
1
|
|
A:209:GLU:HB3
|
A:217:LEU:HB3
|
0.53
|
2
|
1
|
|
A:155:GLU:CG
|
A:194:GLY:HA3
|
0.53
|
9
|
1
|
|
A:217:LEU:HA
|
A:345:GLN:CA
|
0.53
|
9
|
1
|
|
A:258:LEU:HD22
|
A:300:MET:HE2
|
0.52
|
4
|
1
|
|
A:321:ILE:HG23
|
A:323:CYS:SG
|
0.52
|
1
|
1
|
|
A:19:ALA:HA
|
A:28:TRP:CD1
|
0.52
|
10
|
1
|
|
A:230:LEU:HD12
|
A:284:TYR:CG
|
0.52
|
4
|
1
|
|
A:286:ILE:CG1
|
A:295:ILE:HD12
|
0.52
|
4
|
1
|
|
A:122:VAL:HG23
|
A:143:VAL:CG2
|
0.51
|
5
|
1
|
|
A:39:TYR:CD1
|
A:82:MET:SD
|
0.51
|
8
|
1
|
|
A:256:VAL:HA
|
A:331:GLU:HA
|
0.51
|
8
|
1
|
|
A:39:TYR:CD1
|
A:82:MET:CE
|
0.51
|
8
|
1
|
|
A:216:THR:HB
|
A:345:GLN:CD
|
0.51
|
9
|
1
|
|
A:319:ALA:C
|
A:321:ILE:H
|
0.51
|
1
|
1
|
|
A:199:VAL:C
|
A:201:ALA:N
|
0.51
|
8
|
1
|
|
A:213:LYS:O
|
A:214:HIS:CD2
|
0.51
|
9
|
1
|
|
A:3:LYS:O
|
A:4:THR:HG23
|
0.50
|
2
|
1
|
|
A:209:GLU:CD
|
A:217:LEU:HD22
|
0.50
|
2
|
1
|
|
A:153:THR:HB
|
A:154:PRO:HD2
|
0.50
|
5
|
1
|
|
A:230:LEU:CB
|
A:284:TYR:CZ
|
0.50
|
10
|
1
|
|
A:333:GLU:OE2
|
A:335:LYS:HE3
|
0.50
|
2
|
1
|
|
A:19:ALA:HA
|
A:191:PHE:CE1
|
0.50
|
7
|
1
|
|
A:261:THR:HG22
|
A:273:LEU:HD22
|
0.50
|
8
|
1
|
|
A:202:PRO:HA
|
A:338:LYS:HE3
|
0.50
|
4
|
1
|
|
A:217:LEU:HD23
|
A:345:GLN:H
|
0.50
|
9
|
1
|
|
A:309:ASN:O
|
A:310:THR:HG23
|
0.50
|
4
|
1
|
|
A:217:LEU:HD23
|
A:345:GLN:N
|
0.50
|
9
|
1
|
|
A:238:LEU:HD13
|
A:285:LEU:CD2
|
0.50
|
10
|
1
|
|
A:15:PHE:CE2
|
A:30:THR:HG23
|
0.50
|
7
|
1
|
|
A:255:VAL:HG21
|
A:337:ILE:CD1
|
0.49
|
2
|
1
|
|
A:168:ILE:HD12
|
A:180:ASN:HB2
|
0.49
|
9
|
1
|
|
A:274:SER:HB3
|
A:299:GLY:CA
|
0.49
|
9
|
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
|
344
|
288
|
36
|
20
|
|
2
|
344
|
298
|
26
|
20
|
|
3
|
344
|
243
|
79
|
22
|
|
4
|
344
|
236
|
61
|
47
|
|
5
|
344
|
281
|
39
|
24
|
|
6
|
344
|
296
|
30
|
18
|
|
7
|
344
|
304
|
26
|
14
|
|
8
|
344
|
296
|
28
|
20
|
|
9
|
344
|
286
|
43
|
15
|
|
10
|
344
|
303
|
28
|
13
|
| Chain | Res | Type | Models (Total) |
|---|---|---|---|
|
A
|
345
|
GLN
|
7
|
|
A
|
174
|
ILE
|
6
|
|
A
|
340
|
VAL
|
6
|
|
A
|
342
|
THR
|
6
|
|
A
|
3
|
LYS
|
5
|
|
A
|
200
|
VAL
|
5
|
|
A
|
313
|
ASN
|
5
|
|
A
|
317
|
ARG
|
5
|
|
A
|
2
|
LYS
|
4
|
|
A
|
17
|
THR
|
4
|
|
A
|
47
|
ASN
|
4
|
|
A
|
90
|
ASN
|
4
|
|
A
|
211
|
GLN
|
4
|
|
A
|
213
|
LYS
|
4
|
|
A
|
214
|
HIS
|
4
|
|
A
|
264
|
ILE
|
4
|
|
A
|
309
|
ASN
|
4
|
|
A
|
15
|
PHE
|
3
|
|
A
|
46
|
ASN
|
3
|
|
A
|
170
|
ASP
|
3
|
|
A
|
171
|
ALA
|
3
|
|
A
|
199
|
VAL
|
3
|
|
A
|
302
|
GLU
|
3
|
|
A
|
308
|
GLY
|
3
|
|
A
|
315
|
LYS
|
3
|
|
A
|
323
|
CYS
|
3
|
|
A
|
339
|
ASP
|
3
|
|
A
|
344
|
PRO
|
3
|
|
A
|
12
|
LEU
|
2
|
|
A
|
14
|
GLY
|
2
|
|
A
|
26
|
ASN
|
2
|
|
A
|
45
|
ILE
|
2
|
|
A
|
52
|
HIS
|
2
|
|
A
|
53
|
GLU
|
2
|
|
A
|
172
|
HIS
|
2
|
|
A
|
273
|
LEU
|
2
|
|
A
|
304
|
ASN
|
2
|
|
A
|
305
|
PRO
|
2
|
|
A
|
316
|
GLN
|
2
|
|
A
|
319
|
ALA
|
2
|
|
A
|
324
|
LEU
|
2
|
|
A
|
325
|
ALA
|
2
|
|
A
|
327
|
ASP
|
2
|
|
A
|
329
|
ARG
|
2
|
|
A
|
333
|
GLU
|
2
|
|
A
|
337
|
ILE
|
2
|
|
A
|
343
|
GLN
|
2
|
|
A
|
7
|
ALA
|
1
|
|
A
|
10
|
VAL
|
1
|
|
A
|
13
|
ALA
|
1
|
|
A
|
16
|
ALA
|
1
|
|
A
|
18
|
VAL
|
1
|
|
A
|
22
|
ALA
|
1
|
|
A
|
23
|
PRO
|
1
|
|
A
|
34
|
LEU
|
1
|
|
A
|
36
|
TRP
|
1
|
|
A
|
38
|
GLN
|
1
|
|
A
|
40
|
HIS
|
1
|
|
A
|
41
|
ASP
|
1
|
|
A
|
43
|
GLY
|
1
|
|
A
|
44
|
PHE
|
1
|
|
A
|
48
|
ASN
|
1
|
|
A
|
51
|
THR
|
1
|
|
A
|
58
|
ALA
|
1
|
|
A
|
62
|
GLY
|
1
|
|
A
|
85
|
LYS
|
1
|
|
A
|
130
|
ASN
|
1
|
|
A
|
134
|
LYS
|
1
|
|
A
|
136
|
HIS
|
1
|
|
A
|
137
|
ASP
|
1
|
|
A
|
140
|
VAL
|
1
|
|
A
|
148
|
VAL
|
1
|
|
A
|
153
|
THR
|
1
|
|
A
|
168
|
ILE
|
1
|
|
A
|
176
|
THR
|
1
|
|
A
|
179
|
ASP
|
1
|
|
A
|
181
|
GLY
|
1
|
|
A
|
193
|
GLN
|
1
|
|
A
|
194
|
GLY
|
1
|
|
A
|
195
|
GLU
|
1
|
|
A
|
202
|
PRO
|
1
|
|
A
|
203
|
ALA
|
1
|
|
A
|
207
|
ALA
|
1
|
|
A
|
209
|
GLU
|
1
|
|
A
|
210
|
VAL
|
1
|
|
A
|
212
|
THR
|
1
|
|
A
|
217
|
LEU
|
1
|
|
A
|
219
|
SER
|
1
|
|
A
|
228
|
ALA
|
1
|
|
A
|
249
|
ASP
|
1
|
|
A
|
250
|
PRO
|
1
|
|
A
|
252
|
ASP
|
1
|
|
A
|
275
|
GLU
|
1
|
|
A
|
287
|
SER
|
1
|
|
A
|
301
|
GLY
|
1
|
|
A
|
306
|
VAL
|
1
|
|
A
|
307
|
THR
|
1
|
|
A
|
310
|
THR
|
1
|
|
A
|
311
|
CYS
|
1
|
|
A
|
312
|
ASP
|
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
|
271
|
248
|
15
|
8
|
|
2
|
271
|
255
|
9
|
7
|
|
3
|
271
|
249
|
9
|
13
|
|
4
|
271
|
244
|
19
|
8
|
|
5
|
271
|
256
|
8
|
7
|
|
6
|
271
|
252
|
9
|
10
|
|
7
|
271
|
260
|
6
|
5
|
|
8
|
271
|
258
|
8
|
5
|
|
9
|
271
|
259
|
4
|
8
|
|
10
|
271
|
256
|
11
|
4
|
| Chain | Res | Type | Models (Total) |
|---|---|---|---|
|
A
|
4
|
THR
|
6
|
|
A
|
241
|
LEU
|
6
|
|
A
|
173
|
THR
|
3
|
|
A
|
222
|
LEU
|
3
|
|
A
|
225
|
PHE
|
3
|
|
A
|
230
|
LEU
|
3
|
|
A
|
51
|
THR
|
2
|
|
A
|
164
|
TRP
|
2
|
|
A
|
185
|
LEU
|
2
|
|
A
|
219
|
SER
|
2
|
|
A
|
248
|
LEU
|
2
|
|
A
|
307
|
THR
|
2
|
|
A
|
314
|
VAL
|
2
|
|
A
|
17
|
THR
|
1
|
|
A
|
18
|
VAL
|
1
|
|
A
|
77
|
ASP
|
1
|
|
A
|
84
|
TYR
|
1
|
|
A
|
88
|
VAL
|
1
|
|
A
|
113
|
ASP
|
1
|
|
A
|
116
|
THR
|
1
|
|
A
|
127
|
THR
|
1
|
|
A
|
131
|
VAL
|
1
|
|
A
|
138
|
THR
|
1
|
|
A
|
158
|
THR
|
1
|
|
A
|
172
|
HIS
|
1
|
|
A
|
206
|
PRO
|
1
|
|
A
|
212
|
THR
|
1
|
|
A
|
217
|
LEU
|
1
|
|
A
|
226
|
ASN
|
1
|
|
A
|
238
|
LEU
|
1
|
|
A
|
261
|
THR
|
1
|
|
A
|
262
|
ASP
|
1
|
|
A
|
263
|
ARG
|
1
|
|
A
|
267
|
ASP
|
1
|
|
A
|
269
|
TYR
|
1
|
|
A
|
273
|
LEU
|
1
|
|
A
|
274
|
SER
|
1
|
|
A
|
275
|
GLU
|
1
|
|
A
|
295
|
ILE
|
1
|
|
A
|
303
|
SER
|
1
|
|
A
|
306
|
VAL
|
1
|
|
A
|
310
|
THR
|
1
|
|
A
|
311
|
CYS
|
1
|
|
A
|
320
|
LEU
|
1
|
|
A
|
323
|
CYS
|
1
|
|
A
|
327
|
ASP
|
1
|
|
A
|
339
|
ASP
|
1
|
|
A
|
340
|
VAL
|
1
|
|
A
|
341
|
VAL
|
1
|
|
A
|
343
|
GLN
|
1
|