| ## |
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 |
|
D |
186 |
46 |
14012 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
183 |
45 |
14012 |
1776.8 |
-10.5 |
0.368 |
37 |
16 |
0 |
0.427 |
2 |
|
C |
184 |
47 |
13747 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
183 |
47 |
13747 |
1774.1 |
-9.8 |
0.487 |
38 |
16 |
0 |
0.427 |
3 |
|
B |
194 |
47 |
13996 |
◊ |
B |
-x+1,y,-z |
2_655 |
193 |
47 |
13996 |
1761.0 |
-8.6 |
0.497 |
38 |
12 |
0 |
0.427 |
4 |
|
A |
185 |
46 |
13997 |
◊ |
A |
-x+1,y,-z |
2_655 |
184 |
46 |
13997 |
1760.3 |
-9.2 |
0.466 |
40 |
16 |
0 |
0.427 |
| Average: |
1768.0 |
-9.5 |
0.454 |
38 |
15 |
0 |
0.427 |
| 2 |
5 |
|
B |
138 |
34 |
13996 |
◊ |
A |
x,y,z |
1_555 |
135 |
34 |
13997 |
1348.7 |
-15.7 |
0.082 |
17 |
5 |
0 |
0.459 |
6 |
|
D |
126 |
33 |
14012 |
◊ |
C |
x,y,z |
1_555 |
125 |
32 |
13747 |
1309.4 |
-17.9 |
0.032 |
11 |
0 |
0 |
0.459 |
| Average: |
1329.1 |
-16.8 |
0.057 |
14 |
3 |
0 |
0.459 |
| 3 |
7 |
|
[BBE]C:400 |
24 |
1 |
576 |
f |
C |
x,y,z |
1_555 |
58 |
18 |
13747 |
364.3 |
-6.5 |
0.464 |
2 |
0 |
0 |
0.288 |
8 |
|
[BBE]A:400 |
25 |
1 |
578 |
f |
A |
x,y,z |
1_555 |
59 |
19 |
13997 |
360.9 |
-6.3 |
0.489 |
2 |
0 |
0 |
0.288 |
9 |
|
[BBE]D:400 |
25 |
1 |
572 |
f |
D |
x,y,z |
1_555 |
56 |
19 |
14012 |
360.0 |
-6.4 |
0.456 |
2 |
0 |
0 |
0.288 |
10 |
|
[BBE]B:400 |
24 |
1 |
572 |
f |
B |
x,y,z |
1_555 |
56 |
18 |
13996 |
359.6 |
-6.5 |
0.441 |
2 |
0 |
0 |
0.288 |
| Average: |
361.2 |
-6.4 |
0.463 |
2 |
0 |
0 |
0.288 |
| 4 |
11 |
|
C |
44 |
12 |
13747 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
13997 |
355.0 |
-4.5 |
0.240 |
4 |
1 |
0 |
0.000 |
| 5 |
12 |
|
D |
29 |
7 |
14012 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
13997 |
265.2 |
0.0 |
0.681 |
2 |
0 |
0 |
0.000 |
| 6 |
13 |
|
C |
31 |
8 |
13747 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
31 |
9 |
14012 |
223.9 |
-1.6 |
0.505 |
2 |
0 |
0 |
0.000 |
14 |
|
A |
32 |
8 |
13997 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
22 |
7 |
13996 |
214.1 |
-0.4 |
0.623 |
2 |
0 |
0 |
0.000 |
| Average: |
219.0 |
-1.0 |
0.564 |
2 |
0 |
0 |
0.000 |
| 7 |
15 |
|
A |
18 |
6 |
13997 |
◊ |
A |
-x,y,-z |
2_555 |
18 |
6 |
13997 |
202.4 |
-0.2 |
0.625 |
2 |
2 |
0 |
0.000 |
16 |
|
C |
20 |
8 |
13747 |
◊ |
C |
-x,y,-z+1 |
2_556 |
20 |
8 |
13747 |
199.0 |
-0.3 |
0.635 |
2 |
2 |
0 |
0.000 |
| Average: |
200.7 |
-0.3 |
0.630 |
2 |
2 |
0 |
0.000 |
| 8 |
17 |
|
C |
16 |
7 |
13747 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13996 |
97.4 |
-1.6 |
0.255 |
0 |
0 |
0 |
0.000 |
| 9 |
18 |
|
[BBE]B:400 |
11 |
1 |
572 |
◊ |
B |
-x+1,y,-z |
2_655 |
11 |
2 |
13996 |
84.8 |
-0.5 |
0.790 |
0 |
0 |
0 |
0.015 |
19 |
|
[BBE]D:400 |
11 |
1 |
572 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
10 |
2 |
14012 |
84.5 |
-0.5 |
0.799 |
0 |
0 |
0 |
0.015 |
20 |
|
[BBE]C:400 |
12 |
1 |
576 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
11 |
2 |
13747 |
84.0 |
-0.4 |
0.806 |
0 |
0 |
0 |
0.015 |
21 |
|
[BBE]A:400 |
12 |
1 |
578 |
◊ |
A |
-x+1,y,-z |
2_655 |
11 |
2 |
13997 |
83.9 |
-0.5 |
0.796 |
0 |
0 |
0 |
0.015 |
| Average: |
84.3 |
-0.5 |
0.798 |
0 |
0 |
0 |
0.015 |
| 10 |
22 |
|
[CL]B:1294 |
1 |
1 |
125 |
f |
B |
-x+1,y,-z |
2_655 |
7 |
4 |
13996 |
50.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.267 |
23 |
|
[CL]D:1294 |
1 |
1 |
125 |
f |
D |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
14012 |
50.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.267 |
24 |
|
[CL]A:1294 |
1 |
1 |
125 |
f |
A |
-x+1,y,-z |
2_655 |
7 |
4 |
13997 |
49.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.267 |
25 |
|
[CL]C:1294 |
1 |
1 |
125 |
f |
C |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
13747 |
48.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.267 |
| Average: |
49.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.267 |
| 11 |
26 |
|
[CL]A:1294 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13997 |
42.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.144 |
27 |
|
[CL]C:1294 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
13747 |
42.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.144 |
28 |
|
[CL]D:1294 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
14012 |
40.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.144 |
29 |
|
[CL]B:1294 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13996 |
40.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.144 |
| Average: |
41.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.144 |
| 12 |
30 |
|
D |
3 |
1 |
14012 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
13747 |
17.2 |
0.4 |
0.783 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
3 |
1 |
13996 |
◊ |
A |
-x+1,y,-z |
2_655 |
3 |
1 |
13997 |
17.0 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
| Average: |
17.1 |
0.4 |
0.773 |
0 |
0 |
0 |
0.000 |
| 13 |
32 |
|
[CL]C:1294 |
1 |
1 |
125 |
◊ |
[BBE]C:400 |
x,y,z |
1_555 |
1 |
1 |
576 |
11.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.029 |
33 |
|
[CL]B:1294 |
1 |
1 |
125 |
◊ |
[BBE]B:400 |
x,y,z |
1_555 |
2 |
1 |
572 |
11.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.029 |
34 |
|
[CL]D:1294 |
1 |
1 |
125 |
◊ |
[BBE]D:400 |
x,y,z |
1_555 |
2 |
1 |
572 |
11.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.029 |
35 |
|
[CL]A:1294 |
1 |
1 |
125 |
◊ |
[BBE]A:400 |
x,y,z |
1_555 |
1 |
1 |
578 |
9.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
10.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| 14 |
36 |
|
B |
1 |
1 |
13996 |
x |
B |
x-1,y,z |
1_455 |
3 |
1 |
13996 |
5.7 |
-0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
|