| ## |
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 |
177 |
42 |
6865 |
◊ |
A |
x,y,z |
1_555 |
176 |
42 |
6614 |
1739.3 |
-23.0 |
0.228 |
32 |
8 |
0 |
0.539 |
| 2 |
2 |
|
[CN4]B:101 |
34 |
1 |
702 |
◊ |
A |
x,y,z |
1_555 |
35 |
13 |
6614 |
297.8 |
3.0 |
0.473 |
1 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[CN4]B:101 |
31 |
1 |
702 |
f |
B |
x,y,z |
1_555 |
42 |
14 |
6865 |
295.0 |
0.8 |
0.288 |
3 |
0 |
0 |
0.007 |
| 4 |
4 |
|
A |
33 |
8 |
6614 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
29 |
8 |
6865 |
291.2 |
-2.9 |
0.516 |
3 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[CN4]A:101 |
29 |
1 |
742 |
◊ |
A |
x,y,z |
1_555 |
35 |
14 |
6614 |
284.7 |
2.7 |
0.246 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
25 |
8 |
6614 |
◊ |
B |
-x-1/2,y-1/2,-z |
3_445 |
21 |
4 |
6865 |
227.3 |
1.0 |
0.837 |
5 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
30 |
8 |
6614 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
9 |
6865 |
223.1 |
0.6 |
0.818 |
3 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[CN4]A:101 |
21 |
1 |
742 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
6865 |
195.7 |
0.9 |
0.178 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
B |
21 |
5 |
6865 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
19 |
3 |
6614 |
152.8 |
-1.6 |
0.554 |
2 |
1 |
0 |
0.000 |
| 10 |
10 |
|
B |
13 |
3 |
6865 |
x |
B |
-x-1/2,y-1/2,-z |
3_445 |
15 |
5 |
6865 |
139.9 |
-1.2 |
0.400 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[CN4]B:101 |
6 |
1 |
702 |
◊ |
[CN4]A:101 |
x,y,z |
1_555 |
6 |
1 |
742 |
71.2 |
2.1 |
0.459 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
6865 |
63.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.249 |
13 |
|
[CL]A:102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
6614 |
57.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.249 |
| Average: |
60.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.249 |
| 13 |
14 |
|
[CL]B:103 |
1 |
1 |
125 |
f |
B |
-x-1/2,y-1/2,-z |
3_445 |
9 |
4 |
6865 |
61.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 14 |
15 |
|
[CL]B:104 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6865 |
61.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.134 |
| 15 |
16 |
|
A |
12 |
6 |
6614 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
6614 |
61.7 |
-1.7 |
0.132 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[CN4]A:101 |
4 |
1 |
742 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
6614 |
53.3 |
0.3 |
0.462 |
1 |
0 |
0 |
0.003 |
| 17 |
18 |
|
[CL]B:103 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6865 |
42.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[CL]A:102 |
1 |
1 |
125 |
◊ |
B |
-x-1/2,y-1/2,-z |
3_445 |
5 |
1 |
6865 |
35.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[CL]B:103 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
6614 |
10.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
A |
1 |
1 |
6614 |
◊ |
[CL]B:104 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
9.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
B |
3 |
1 |
6865 |
◊ |
A |
-x,-y,z |
2_555 |
2 |
1 |
6614 |
8.1 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[CN4]A:101 |
2 |
1 |
742 |
◊ |
[CL]B:102 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
125 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 23 |
24 |
|
[CN4]A:101 |
3 |
1 |
742 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
6865 |
4.8 |
0.2 |
0.469 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
B |
1 |
1 |
6865 |
◊ |
B |
-x,-y,z |
2_555 |
1 |
1 |
6865 |
0.5 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
|