| ## |
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 |
53 |
16 |
8743 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
53 |
15 |
9370 |
541.9 |
-0.5 |
0.516 |
6 |
4 |
0 |
0.000 |
| 2 |
2 |
|
C |
51 |
17 |
8928 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
9370 |
494.1 |
-4.4 |
0.204 |
3 |
6 |
0 |
0.000 |
3 |
|
A |
47 |
15 |
8743 |
◊ |
A |
-x,y,-z+1 |
2_556 |
46 |
15 |
8743 |
464.9 |
-2.4 |
0.367 |
4 |
6 |
0 |
0.000 |
| Average: |
479.5 |
-3.4 |
0.285 |
4 |
6 |
0 |
0.000 |
| 3 |
4 |
|
C |
52 |
14 |
8928 |
◊ |
A |
x,y,z |
1_555 |
57 |
13 |
8743 |
481.0 |
-4.0 |
0.242 |
2 |
3 |
0 |
0.000 |
| 4 |
5 |
|
C |
45 |
12 |
8928 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
43 |
11 |
9370 |
414.5 |
-2.3 |
0.292 |
3 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
25 |
6 |
9370 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
8743 |
263.5 |
0.5 |
0.393 |
3 |
2 |
0 |
0.000 |
7 |
|
C |
30 |
11 |
8928 |
◊ |
A |
-x,y,-z+1 |
2_556 |
24 |
6 |
8743 |
255.1 |
1.3 |
0.667 |
5 |
3 |
0 |
0.000 |
| Average: |
259.3 |
0.9 |
0.530 |
4 |
3 |
0 |
0.000 |
| 6 |
8 |
|
C |
19 |
4 |
8928 |
◊ |
B |
x,y-1,z |
1_545 |
22 |
10 |
9370 |
163.2 |
-0.8 |
0.389 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[H2S]A:1002 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
8743 |
64.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.027 |
10 |
|
[H2S]C:1002 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
8928 |
63.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.027 |
11 |
|
[H2S]B:1002 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
9370 |
63.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
63.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| 8 |
12 |
|
[NI]C:1001 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
8928 |
46.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.051 |
13 |
|
[NI]B:1001 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
9370 |
46.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.051 |
14 |
|
[NI]A:1001 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
8743 |
46.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
46.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.051 |
| 9 |
15 |
|
[H2S]C:1002 |
1 |
1 |
133 |
f |
[NI]C:1001 |
x,y,z |
1_555 |
1 |
1 |
115 |
29.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| 10 |
16 |
|
[H2S]A:1002 |
1 |
1 |
133 |
f |
[NI]A:1001 |
x,y,z |
1_555 |
1 |
1 |
115 |
29.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.024 |
| 11 |
17 |
|
[H2S]B:1002 |
1 |
1 |
133 |
f |
[NI]B:1001 |
x,y,z |
1_555 |
1 |
1 |
115 |
29.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.024 |
| 12 |
18 |
|
A |
4 |
2 |
8743 |
◊ |
C |
x-1/2,y+1/2,z-1 |
3_454 |
2 |
2 |
8928 |
23.3 |
0.7 |
0.690 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
C |
2 |
1 |
8928 |
x |
C |
-x+1/2,y-1/2,-z+2 |
4_547 |
3 |
1 |
8928 |
16.4 |
1.0 |
0.886 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
A |
4 |
3 |
8743 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
9370 |
13.0 |
-0.2 |
0.418 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
B |
2 |
1 |
9370 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
1 |
8743 |
4.5 |
0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
C |
2 |
2 |
8928 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
2 |
2 |
8928 |
2.9 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
|