| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
59 |
17 |
3406 |
◊ |
A |
x,y,z |
1_555 |
52 |
16 |
3451 |
678.2 |
-14.1 |
0.230 |
1 |
2 |
0 |
0.598 |
2 |
|
C |
53 |
15 |
3227 |
◊ |
A |
x,y,z |
1_555 |
56 |
13 |
3451 |
590.8 |
-9.2 |
0.559 |
2 |
6 |
0 |
0.504 |
3 |
|
C |
46 |
16 |
3227 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
3406 |
551.4 |
-10.4 |
0.477 |
3 |
1 |
0 |
0.897 |
4 |
|
A |
32 |
8 |
3451 |
◊ |
C |
-x+3,y-1/2,-z+1 |
2_846 |
25 |
5 |
3227 |
266.7 |
-4.8 |
0.594 |
2 |
0 |
0 |
0.228 |
5 |
|
A |
24 |
7 |
3451 |
◊ |
B |
-x+3,y-1/2,-z |
2_845 |
28 |
7 |
3406 |
235.7 |
-3.4 |
0.633 |
1 |
0 |
0 |
0.013 |
6 |
|
C |
23 |
8 |
3227 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
7 |
3451 |
195.1 |
-0.5 |
0.862 |
1 |
0 |
0 |
0.000 |
7 |
|
C |
16 |
5 |
3227 |
◊ |
B |
-x+3,y-1/2,-z |
2_845 |
25 |
6 |
3406 |
184.9 |
-3.5 |
0.602 |
1 |
0 |
0 |
0.013 |
8 |
|
C |
25 |
9 |
3227 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
6 |
3406 |
180.7 |
0.8 |
0.929 |
3 |
1 |
0 |
0.000 |
9 |
|
[ACE]A:0 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
11 |
3 |
3451 |
78.0 |
-1.6 |
0.705 |
0 |
0 |
0 |
0.073 |
10 |
|
[ACE]B:0 |
3 |
1 |
172 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
3406 |
76.9 |
-0.5 |
0.831 |
2 |
0 |
0 |
0.374 |
11 |
|
[ACE]C:0 |
3 |
1 |
173 |
cf |
C |
x,y,z |
1_555 |
9 |
5 |
3227 |
65.2 |
-0.3 |
0.861 |
2 |
0 |
0 |
0.117 |
12 |
|
[NH2]B:35 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
4 |
3 |
3406 |
58.2 |
1.0 |
0.842 |
0 |
0 |
0 |
0.000 |
13 |
|
[NH2]A:35 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
7 |
4 |
3451 |
56.9 |
0.9 |
0.841 |
0 |
0 |
0 |
0.000 |
14 |
|
A |
7 |
3 |
3451 |
◊ |
[ACE]C:0 |
-x+3,y-1/2,-z+1 |
2_846 |
3 |
1 |
173 |
46.3 |
-0.6 |
0.766 |
0 |
0 |
0 |
0.023 |
15 |
|
[NH2]C:35 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
3227 |
45.4 |
0.2 |
0.777 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
8 |
2 |
3227 |
x |
C |
-x+3,y-1/2,-z+1 |
2_846 |
5 |
3 |
3227 |
45.2 |
-1.1 |
0.629 |
0 |
0 |
0 |
0.000 |
17 |
|
C |
5 |
3 |
3227 |
◊ |
A |
-x+3,y-1/2,-z |
2_845 |
2 |
1 |
3451 |
41.6 |
1.4 |
0.901 |
2 |
0 |
0 |
0.000 |
18 |
|
[CL]A:110 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
3451 |
41.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.214 |
19 |
|
[CL]A:110 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
3227 |
38.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.202 |
20 |
|
[CL]A:110 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
3406 |
36.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.162 |
21 |
|
[NH2]C:35 |
1 |
1 |
117 |
◊ |
B |
-x+3,y-1/2,-z |
2_845 |
6 |
2 |
3406 |
35.9 |
0.1 |
0.811 |
0 |
0 |
0 |
0.000 |
22 |
|
[ACE]C:0 |
3 |
1 |
173 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
3406 |
33.7 |
0.1 |
0.898 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
3 |
1 |
3406 |
x |
B |
-x+3,y-1/2,-z |
2_845 |
4 |
1 |
3406 |
25.7 |
0.1 |
0.761 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH2]A:35 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3406 |
25.6 |
-0.1 |
0.597 |
0 |
0 |
0 |
0.003 |
25 |
|
[NH2]C:35 |
1 |
1 |
117 |
◊ |
A |
-x+3,y-1/2,-z |
2_845 |
3 |
2 |
3451 |
21.8 |
0.4 |
0.883 |
0 |
0 |
0 |
0.000 |
26 |
|
[ACE]C:0 |
1 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3451 |
10.2 |
-0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
27 |
|
[NH2]B:35 |
1 |
1 |
117 |
◊ |
B |
-x+3,y-1/2,-z |
2_845 |
3 |
1 |
3406 |
9.1 |
0.1 |
0.858 |
0 |
0 |
0 |
0.000 |
28 |
|
[ACE]A:0 |
1 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3406 |
8.3 |
-0.1 |
0.707 |
0 |
0 |
0 |
0.005 |
29 |
|
[NH2]B:35 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3451 |
7.3 |
-0.0 |
0.644 |
0 |
0 |
0 |
0.001 |
30 |
|
[ACE]A:0 |
2 |
1 |
172 |
◊ |
C |
-x+3,y-1/2,-z+1 |
2_846 |
1 |
1 |
3227 |
6.9 |
-0.0 |
0.883 |
0 |
0 |
0 |
0.001 |
31 |
|
C |
1 |
1 |
3227 |
◊ |
[ACE]C:0 |
-x+3,y-1/2,-z+1 |
2_846 |
1 |
1 |
173 |
3.4 |
0.1 |
0.767 |
0 |
0 |
0 |
0.000 |
32 |
|
[ACE]B:0 |
1 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3451 |
0.3 |
-0.0 |
0.676 |
0 |
0 |
0 |
0.000 |
|