| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
A |
167 |
50 |
26366 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
163 |
48 |
26026 |
1394.4 |
-7.6 |
0.523 |
18 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
49 |
16 |
26026 |
◊ |
A |
x,y,z |
1_555 |
52 |
19 |
26366 |
474.6 |
-2.6 |
0.484 |
5 |
1 |
0 |
0.000 |
| 3 |
3 |
|
A |
30 |
11 |
26366 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
28 |
13 |
26366 |
248.2 |
1.5 |
0.586 |
3 |
1 |
0 |
0.000 |
| 4 |
4 |
|
B |
27 |
12 |
26026 |
x |
B |
x-1,y,z |
1_455 |
21 |
7 |
26026 |
216.9 |
-1.8 |
0.420 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[BGC]B:796 |
12 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
36 |
9 |
26026 |
173.5 |
2.3 |
0.441 |
3 |
0 |
0 |
0.000 |
6 |
|
[BGC]A:796 |
12 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
36 |
9 |
26366 |
172.8 |
2.5 |
0.465 |
5 |
0 |
0 |
0.000 |
| Average: |
173.1 |
2.4 |
0.453 |
4 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
17 |
8 |
26026 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
21 |
7 |
26026 |
161.7 |
-0.4 |
0.393 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[BGC]A:792 |
10 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
26366 |
125.5 |
2.5 |
0.528 |
4 |
0 |
0 |
0.000 |
9 |
|
[BGC]B:792 |
10 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
26026 |
124.9 |
2.6 |
0.556 |
3 |
0 |
0 |
0.000 |
| Average: |
125.2 |
2.5 |
0.542 |
4 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[BGC]B:794 |
11 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
26026 |
114.9 |
2.2 |
0.405 |
1 |
0 |
0 |
0.000 |
11 |
|
[BGC]A:794 |
11 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
26366 |
113.4 |
2.2 |
0.398 |
2 |
0 |
0 |
0.000 |
| Average: |
114.2 |
2.2 |
0.401 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
B |
11 |
4 |
26026 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
12 |
6 |
26366 |
113.3 |
-2.2 |
0.161 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[XYS]A:793 |
8 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
26366 |
108.4 |
2.3 |
0.483 |
2 |
0 |
0 |
0.000 |
14 |
|
[XYS]B:793 |
8 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
26026 |
105.3 |
2.1 |
0.520 |
2 |
0 |
0 |
0.000 |
| Average: |
106.8 |
2.2 |
0.501 |
2 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[XYS]B:795 |
8 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
26026 |
102.1 |
1.3 |
0.312 |
0 |
0 |
0 |
0.000 |
16 |
|
[XYS]A:795 |
8 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
26366 |
98.6 |
1.2 |
0.290 |
0 |
0 |
0 |
0.000 |
| Average: |
100.3 |
1.2 |
0.301 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[BGC]B:790 |
8 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
26026 |
99.0 |
2.5 |
0.460 |
2 |
0 |
0 |
0.000 |
18 |
|
[BGC]A:790 |
8 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
26366 |
98.7 |
2.4 |
0.441 |
2 |
0 |
0 |
0.000 |
| Average: |
98.8 |
2.5 |
0.450 |
2 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[XYS]A:791 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
26366 |
81.7 |
0.8 |
0.374 |
3 |
0 |
0 |
0.000 |
20 |
|
[XYS]B:791 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
26026 |
81.4 |
0.9 |
0.381 |
3 |
0 |
0 |
0.000 |
| Average: |
81.5 |
0.9 |
0.377 |
3 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[XYS]A:791 |
6 |
1 |
258 |
cf |
[BGC]A:790 |
x,y,z |
1_555 |
5 |
1 |
293 |
55.6 |
2.3 |
0.293 |
0 |
0 |
0 |
0.000 |
22 |
|
[XYS]B:791 |
5 |
1 |
258 |
cf |
[BGC]B:790 |
x,y,z |
1_555 |
5 |
1 |
292 |
54.0 |
2.1 |
0.283 |
0 |
0 |
0 |
0.000 |
| Average: |
54.8 |
2.2 |
0.288 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[BGC]B:792 |
5 |
1 |
294 |
cf |
[BGC]B:790 |
x,y,z |
1_555 |
5 |
1 |
292 |
54.4 |
1.3 |
0.193 |
0 |
0 |
0 |
0.000 |
24 |
|
[BGC]A:792 |
6 |
1 |
292 |
cf |
[BGC]A:790 |
x,y,z |
1_555 |
5 |
1 |
293 |
53.4 |
1.4 |
0.157 |
0 |
0 |
0 |
0.000 |
| Average: |
53.9 |
1.3 |
0.175 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[BGC]A:796 |
5 |
1 |
303 |
cf |
[BGC]A:794 |
x,y,z |
1_555 |
6 |
1 |
293 |
49.5 |
0.8 |
0.141 |
1 |
0 |
0 |
0.000 |
26 |
|
[BGC]B:796 |
7 |
1 |
303 |
cf |
[BGC]B:794 |
x,y,z |
1_555 |
6 |
1 |
292 |
49.2 |
0.8 |
0.107 |
1 |
0 |
0 |
0.000 |
| Average: |
49.3 |
0.8 |
0.124 |
1 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[XYS]A:795 |
5 |
1 |
257 |
cf |
[BGC]A:794 |
x,y,z |
1_555 |
4 |
1 |
293 |
44.1 |
1.8 |
0.304 |
0 |
0 |
0 |
0.000 |
28 |
|
[XYS]B:795 |
6 |
1 |
256 |
cf |
[BGC]B:794 |
x,y,z |
1_555 |
4 |
1 |
292 |
44.0 |
1.8 |
0.276 |
0 |
0 |
0 |
0.000 |
| Average: |
44.0 |
1.8 |
0.290 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[XYS]B:793 |
5 |
1 |
255 |
cf |
[BGC]B:792 |
x,y,z |
1_555 |
7 |
1 |
294 |
42.7 |
1.9 |
0.253 |
0 |
0 |
0 |
0.000 |
30 |
|
[XYS]A:793 |
5 |
1 |
255 |
cf |
[BGC]A:792 |
x,y,z |
1_555 |
6 |
1 |
292 |
42.5 |
1.9 |
0.273 |
0 |
0 |
0 |
0.000 |
| Average: |
42.6 |
1.9 |
0.263 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[XYS]A:795 |
5 |
1 |
257 |
f |
[BGC]A:796 |
x,y,z |
1_555 |
4 |
1 |
303 |
42.2 |
0.9 |
0.223 |
0 |
0 |
0 |
0.000 |
32 |
|
[XYS]B:795 |
5 |
1 |
256 |
f |
[BGC]B:796 |
x,y,z |
1_555 |
5 |
1 |
303 |
41.6 |
0.7 |
0.178 |
0 |
0 |
0 |
0.000 |
| Average: |
41.9 |
0.8 |
0.201 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[XYS]B:793 |
5 |
1 |
255 |
f |
[BGC]B:790 |
x,y,z |
1_555 |
5 |
1 |
292 |
41.4 |
2.0 |
0.345 |
0 |
0 |
0 |
0.000 |
34 |
|
[XYS]A:793 |
5 |
1 |
255 |
f |
[BGC]A:790 |
x,y,z |
1_555 |
5 |
1 |
293 |
40.1 |
1.9 |
0.266 |
0 |
0 |
0 |
0.000 |
| Average: |
40.8 |
1.9 |
0.306 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[BGC]A:794 |
5 |
1 |
293 |
cf |
[BGC]A:792 |
x,y,z |
1_555 |
6 |
1 |
292 |
40.2 |
1.1 |
0.178 |
0 |
0 |
0 |
0.000 |
36 |
|
[BGC]B:794 |
5 |
1 |
292 |
cf |
[BGC]B:792 |
x,y,z |
1_555 |
7 |
1 |
294 |
39.3 |
1.1 |
0.165 |
0 |
0 |
0 |
0.000 |
| Average: |
39.7 |
1.1 |
0.171 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[XYS]B:795 |
3 |
1 |
256 |
f |
[XYS]B:791 |
x,y,z |
1_555 |
4 |
1 |
258 |
35.7 |
0.8 |
0.298 |
0 |
0 |
0 |
0.000 |
38 |
|
[XYS]A:795 |
3 |
1 |
257 |
f |
[XYS]A:791 |
x,y,z |
1_555 |
5 |
1 |
258 |
34.5 |
0.7 |
0.178 |
0 |
0 |
0 |
0.000 |
| Average: |
35.1 |
0.8 |
0.238 |
0 |
0 |
0 |
0.000 |
| 23 |
39 |
|
A |
2 |
1 |
26366 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
4 |
1 |
26026 |
34.8 |
0.3 |
0.657 |
0 |
0 |
0 |
0.000 |
| 24 |
40 |
|
[XYS]B:791 |
4 |
1 |
258 |
f |
[BGC]B:792 |
x,y,z |
1_555 |
5 |
1 |
294 |
32.9 |
1.1 |
0.256 |
0 |
0 |
0 |
0.000 |
41 |
|
[XYS]A:791 |
4 |
1 |
258 |
f |
[BGC]A:792 |
x,y,z |
1_555 |
5 |
1 |
292 |
32.7 |
1.1 |
0.240 |
0 |
0 |
0 |
0.000 |
| Average: |
32.8 |
1.1 |
0.248 |
0 |
0 |
0 |
0.000 |
| 25 |
42 |
|
[XYS]B:791 |
3 |
1 |
258 |
f |
[BGC]B:794 |
x,y,z |
1_555 |
4 |
1 |
292 |
24.0 |
1.0 |
0.329 |
0 |
0 |
0 |
0.000 |
43 |
|
[XYS]A:791 |
3 |
1 |
258 |
f |
[BGC]A:794 |
x,y,z |
1_555 |
3 |
1 |
293 |
24.0 |
1.0 |
0.320 |
0 |
0 |
0 |
0.000 |
| Average: |
24.0 |
1.0 |
0.325 |
0 |
0 |
0 |
0.000 |
| 26 |
44 |
|
[XYS]B:793 |
2 |
1 |
255 |
f |
[BGC]B:794 |
x,y,z |
1_555 |
4 |
1 |
292 |
22.2 |
0.5 |
0.200 |
0 |
0 |
0 |
0.000 |
45 |
|
[XYS]A:793 |
2 |
1 |
255 |
f |
[BGC]A:794 |
x,y,z |
1_555 |
4 |
1 |
293 |
22.0 |
0.5 |
0.173 |
0 |
0 |
0 |
0.000 |
| Average: |
22.1 |
0.5 |
0.187 |
0 |
0 |
0 |
0.000 |
| 27 |
46 |
|
[XYS]B:795 |
2 |
1 |
256 |
f |
[XYS]B:793 |
x,y,z |
1_555 |
1 |
1 |
255 |
11.3 |
0.4 |
0.257 |
0 |
0 |
0 |
0.000 |
47 |
|
[XYS]A:795 |
2 |
1 |
257 |
f |
[XYS]A:793 |
x,y,z |
1_555 |
1 |
1 |
255 |
10.9 |
0.4 |
0.257 |
0 |
0 |
0 |
0.000 |
| Average: |
11.1 |
0.4 |
0.257 |
0 |
0 |
0 |
0.000 |
| 28 |
48 |
|
[XYS]B:793 |
3 |
1 |
255 |
f |
[XYS]B:791 |
x,y,z |
1_555 |
2 |
1 |
258 |
7.1 |
0.2 |
0.314 |
0 |
0 |
0 |
0.000 |
49 |
|
[XYS]A:793 |
2 |
1 |
255 |
f |
[XYS]A:791 |
x,y,z |
1_555 |
1 |
1 |
258 |
4.2 |
0.1 |
0.257 |
0 |
0 |
0 |
0.000 |
| Average: |
5.7 |
0.2 |
0.285 |
0 |
0 |
0 |
0.000 |
| 29 |
50 |
|
[XYS]A:795 |
1 |
1 |
257 |
f |
[BGC]A:792 |
x,y,z |
1_555 |
2 |
1 |
292 |
4.5 |
0.3 |
0.242 |
0 |
0 |
0 |
0.000 |
51 |
|
[XYS]B:795 |
1 |
1 |
256 |
f |
[BGC]B:792 |
x,y,z |
1_555 |
2 |
1 |
294 |
3.9 |
0.3 |
0.242 |
0 |
0 |
0 |
0.000 |
| Average: |
4.2 |
0.3 |
0.242 |
0 |
0 |
0 |
0.000 |
| 30 |
52 |
|
[BGC]A:794 |
1 |
1 |
293 |
f |
[BGC]A:790 |
x,y,z |
1_555 |
1 |
1 |
293 |
1.8 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
53 |
|
[BGC]B:794 |
1 |
1 |
292 |
f |
[BGC]B:790 |
x,y,z |
1_555 |
1 |
1 |
292 |
1.4 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| Average: |
1.6 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
|