| ## |
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 |
26 |
6 |
1712 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
1714 |
257.8 |
-5.5 |
0.410 |
12 |
0 |
0 |
0.301 |
| 2 |
2 |
|
A |
24 |
2 |
1714 |
x |
A |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
26 |
3 |
1714 |
176.1 |
5.9 |
0.913 |
1 |
0 |
0 |
0.000 |
3 |
|
B |
28 |
4 |
1712 |
x |
B |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
24 |
2 |
1712 |
175.6 |
6.2 |
0.921 |
1 |
0 |
0 |
0.000 |
| Average: |
175.9 |
6.1 |
0.917 |
1 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
21 |
3 |
1714 |
◊ |
B |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
21 |
3 |
1712 |
155.9 |
-2.9 |
0.512 |
0 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[NI]B:102 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
1712 |
46.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.329 |
6 |
|
[NI]A:101 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
1714 |
43.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.329 |
| Average: |
45.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.329 |
| 5 |
7 |
|
[NI]B:104 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
1712 |
45.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.301 |
8 |
|
[NI]A:103 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
1714 |
44.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.301 |
| Average: |
45.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.301 |
| 6 |
9 |
|
[NI]A:101 |
1 |
1 |
115 |
◊ |
B |
-x+1,-y,z |
2_655 |
7 |
2 |
1712 |
23.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.008 |
| 7 |
10 |
|
[NI]A:103 |
1 |
1 |
115 |
◊ |
A |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
3 |
2 |
1714 |
18.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
3 |
2 |
1712 |
◊ |
[NI]B:104 |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
1 |
1 |
115 |
18.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
18.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
B |
2 |
1 |
1712 |
◊ |
A |
-x+1,-y,z |
2_655 |
3 |
1 |
1714 |
15.8 |
-0.7 |
0.360 |
0 |
0 |
0 |
0.002 |
| 9 |
13 |
|
B |
3 |
1 |
1712 |
◊ |
A |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
3 |
1 |
1714 |
14.8 |
-0.9 |
0.382 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[NI]B:102 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
1714 |
11.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.068 |
15 |
|
[NI]A:101 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
1712 |
7.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
9.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.068 |
| 11 |
16 |
|
A |
2 |
1 |
1714 |
◊ |
[NI]A:101 |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
1 |
1 |
115 |
7.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
|
[NI]B:102 |
1 |
1 |
115 |
◊ |
B |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
1 |
1 |
1712 |
5.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[NI]B:102 |
1 |
1 |
115 |
◊ |
B |
-z+1/2,-x+1/2,y+1/2 |
19_555 |
1 |
1 |
1712 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|