| ## |
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 |
60 |
15 |
9578 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
80 |
21 |
9578 |
632.0 |
-1.7 |
0.400 |
5 |
4 |
0 |
0.000 |
| 2 |
2 |
|
A |
34 |
11 |
9578 |
x |
A |
x-1/2,-y+3/2,-z |
4_465 |
34 |
11 |
9578 |
330.4 |
2.9 |
0.785 |
3 |
14 |
0 |
0.000 |
| 3 |
3 |
|
A |
25 |
9 |
9578 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
26 |
8 |
9578 |
225.5 |
2.3 |
0.715 |
0 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
19 |
3 |
9578 |
x |
A |
x,y-1,z |
1_545 |
17 |
4 |
9578 |
148.7 |
1.1 |
0.680 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[NI]A:505 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9578 |
62.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| 6 |
6 |
|
A |
5 |
3 |
9578 |
f |
[NI]A:506 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
115 |
49.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.010 |
| 7 |
7 |
|
[NI]A:506 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9578 |
48.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[NI]A:503 |
1 |
1 |
115 |
cf |
A |
x,y,z |
1_555 |
6 |
3 |
9578 |
44.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.012 |
| 9 |
9 |
|
[NI]A:507 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9578 |
44.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.021 |
10 |
|
[NI]A:501 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9578 |
40.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
42.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.021 |
| 10 |
11 |
|
[NI]A:509 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
9578 |
44.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 11 |
12 |
|
A |
13 |
5 |
9578 |
f |
[NI]A:504 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
115 |
42.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 12 |
13 |
|
A |
8 |
3 |
9578 |
◊ |
[NI]A:502 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
115 |
42.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
A |
7 |
2 |
9578 |
f |
[NI]A:508 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
115 |
41.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 14 |
15 |
|
[NI]A:502 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9578 |
40.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 15 |
16 |
|
A |
4 |
2 |
9578 |
◊ |
[NI]A:509 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
115 |
38.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[NI]A:508 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9578 |
35.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
A |
8 |
3 |
9578 |
◊ |
[NI]A:503 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
115 |
35.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
A |
3 |
2 |
9578 |
◊ |
[NI]A:507 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
115 |
34.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
6 |
3 |
9578 |
◊ |
[NI]A:501 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
115 |
33.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
33.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
A |
5 |
2 |
9578 |
◊ |
[NI]A:504 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
115 |
29.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[NI]A:504 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9578 |
26.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[NI]A:507 |
1 |
1 |
115 |
f |
[NI]A:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
22.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| 22 |
24 |
|
[NI]A:508 |
1 |
1 |
115 |
◊ |
[NI]A:505 |
x,y,z |
1_555 |
1 |
1 |
115 |
16.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[NI]A:504 |
1 |
1 |
115 |
◊ |
[NI]A:503 |
x,y,z |
1_555 |
1 |
1 |
115 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
A |
3 |
1 |
9578 |
◊ |
[NI]A:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
115 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[NI]A:508 |
1 |
1 |
115 |
◊ |
[NI]A:502 |
x,y,z |
1_555 |
1 |
1 |
115 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|