| ## |
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 |
|
B |
87 |
29 |
15346 |
◊ |
A |
x,y,z |
1_555 |
93 |
24 |
15491 |
891.1 |
-5.3 |
0.263 |
7 |
1 |
0 |
0.000 |
2 |
|
B |
94 |
24 |
15346 |
◊ |
A |
x,y,z-1 |
1_554 |
84 |
26 |
15491 |
865.6 |
-5.0 |
0.288 |
6 |
2 |
0 |
0.000 |
| Average: |
878.3 |
-5.2 |
0.275 |
7 |
2 |
0 |
0.000 |
| 2 |
3 |
|
B |
50 |
20 |
15346 |
x |
B |
x-1,y,z |
1_455 |
50 |
12 |
15346 |
420.9 |
-2.1 |
0.441 |
5 |
0 |
0 |
0.000 |
4 |
|
A |
52 |
13 |
15491 |
x |
A |
x-1,y,z |
1_455 |
50 |
19 |
15491 |
415.0 |
-1.7 |
0.482 |
6 |
0 |
0 |
0.000 |
| Average: |
418.0 |
-1.9 |
0.461 |
6 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
33 |
10 |
15346 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
33 |
9 |
15346 |
289.3 |
-3.2 |
0.217 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
32 |
9 |
15491 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
33 |
10 |
15491 |
287.7 |
-2.6 |
0.291 |
1 |
0 |
0 |
0.000 |
| Average: |
288.5 |
-2.9 |
0.254 |
1 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[BGC]B:604 |
12 |
1 |
305 |
f |
B |
x,y,z |
1_555 |
40 |
15 |
15346 |
195.1 |
2.8 |
0.435 |
3 |
0 |
0 |
0.004 |
8 |
|
[BGC]A:604 |
11 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
38 |
13 |
15491 |
155.0 |
1.4 |
0.271 |
4 |
0 |
0 |
0.004 |
| Average: |
175.1 |
2.1 |
0.353 |
4 |
0 |
0 |
0.004 |
| 5 |
9 |
|
[BGC]A:601 |
11 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
34 |
15 |
15491 |
169.5 |
3.3 |
0.508 |
5 |
0 |
0 |
0.000 |
10 |
|
[BGC]B:601 |
11 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
35 |
15 |
15346 |
169.0 |
3.2 |
0.510 |
6 |
0 |
0 |
0.000 |
| Average: |
169.2 |
3.3 |
0.509 |
6 |
0 |
0 |
0.000 |
| 6 |
11 |
|
[BGC]B:603 |
11 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
41 |
15 |
15346 |
166.4 |
2.4 |
0.447 |
1 |
0 |
0 |
0.000 |
12 |
|
[BGC]A:603 |
11 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
40 |
15 |
15491 |
164.6 |
2.3 |
0.378 |
1 |
0 |
0 |
0.000 |
| Average: |
165.5 |
2.3 |
0.413 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[BGC]A:605 |
11 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
32 |
11 |
15491 |
151.0 |
2.3 |
0.420 |
2 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[BGC]A:602 |
11 |
1 |
285 |
f |
A |
x,y,z |
1_555 |
35 |
14 |
15491 |
150.6 |
2.0 |
0.437 |
2 |
0 |
0 |
0.000 |
15 |
|
[BGC]B:602 |
11 |
1 |
287 |
f |
B |
x,y,z |
1_555 |
35 |
13 |
15346 |
148.9 |
2.1 |
0.444 |
3 |
0 |
0 |
0.000 |
| Average: |
149.7 |
2.0 |
0.440 |
3 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[BGC]A:606 |
11 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
15491 |
139.1 |
2.7 |
0.434 |
1 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[BGC]A:606 |
5 |
1 |
306 |
cf |
[BGC]A:605 |
x,y,z |
1_555 |
6 |
1 |
293 |
56.0 |
0.9 |
0.162 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[BGC]B:604 |
5 |
1 |
305 |
cf |
[BGC]B:603 |
x,y,z |
1_555 |
5 |
1 |
297 |
54.7 |
1.1 |
0.196 |
1 |
0 |
0 |
0.000 |
19 |
|
[BGC]A:604 |
5 |
1 |
294 |
cf |
[BGC]A:603 |
x,y,z |
1_555 |
6 |
1 |
296 |
50.1 |
1.0 |
0.158 |
1 |
0 |
0 |
0.000 |
| Average: |
52.4 |
1.1 |
0.177 |
1 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[BGC]A:605 |
5 |
1 |
293 |
cf |
[BGC]A:604 |
x,y,z |
1_555 |
6 |
1 |
294 |
51.3 |
0.8 |
0.150 |
2 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[CA]A:607 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15491 |
47.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.220 |
22 |
|
[CA]B:607 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15346 |
46.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.220 |
| Average: |
46.9 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.220 |
| 14 |
23 |
|
[BGC]A:603 |
6 |
1 |
296 |
cf |
[BGC]A:602 |
x,y,z |
1_555 |
6 |
1 |
285 |
46.7 |
1.0 |
0.141 |
1 |
0 |
0 |
0.000 |
24 |
|
[BGC]B:603 |
6 |
1 |
297 |
cf |
[BGC]B:602 |
x,y,z |
1_555 |
5 |
1 |
287 |
46.6 |
1.0 |
0.162 |
1 |
0 |
0 |
0.000 |
| Average: |
46.7 |
1.0 |
0.152 |
1 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[BGC]A:602 |
5 |
1 |
285 |
cf |
[BGC]A:601 |
x,y,z |
1_555 |
7 |
1 |
295 |
44.4 |
0.8 |
0.146 |
0 |
0 |
0 |
0.000 |
26 |
|
[BGC]B:602 |
5 |
1 |
287 |
cf |
[BGC]B:601 |
x,y,z |
1_555 |
7 |
1 |
293 |
44.2 |
0.8 |
0.144 |
0 |
0 |
0 |
0.000 |
| Average: |
44.3 |
0.8 |
0.145 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[CA]A:608 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15491 |
33.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.072 |
| 17 |
28 |
|
A |
2 |
2 |
15491 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
15346 |
22.4 |
0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
3 |
1 |
15491 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
2 |
15346 |
16.6 |
-0.2 |
0.397 |
0 |
0 |
0 |
0.000 |
| Average: |
19.5 |
-0.1 |
0.493 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
B |
2 |
1 |
15346 |
◊ |
[CA]A:608 |
x,y,z-1 |
1_554 |
1 |
1 |
85 |
18.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[CA]A:608 |
1 |
1 |
85 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
2 |
15346 |
5.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
|