| ## |
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 |
139 |
41 |
15978 |
◊ |
A |
x,y,z |
1_555 |
147 |
41 |
15757 |
1321.6 |
-3.1 |
0.657 |
12 |
3 |
0 |
0.000 |
| 2 |
2 |
|
A |
51 |
17 |
15757 |
x |
A |
-x,y-1/2,-z |
2_545 |
45 |
14 |
15757 |
422.4 |
-1.4 |
0.549 |
1 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
40 |
12 |
15978 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
48 |
17 |
15978 |
415.0 |
-0.5 |
0.577 |
0 |
1 |
0 |
0.000 |
| 4 |
4 |
|
B |
28 |
9 |
15978 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
10 |
15757 |
275.9 |
-2.0 |
0.391 |
1 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
29 |
10 |
15757 |
x |
A |
x,y,z-1 |
1_554 |
30 |
11 |
15757 |
242.7 |
1.5 |
0.800 |
1 |
1 |
0 |
0.000 |
| 6 |
6 |
|
A |
23 |
10 |
15757 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
30 |
11 |
15978 |
220.4 |
2.8 |
0.905 |
1 |
4 |
0 |
0.000 |
| 7 |
7 |
|
A |
22 |
7 |
15757 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
25 |
7 |
15757 |
205.7 |
0.6 |
0.720 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
B |
23 |
8 |
15978 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
29 |
10 |
15978 |
199.1 |
-1.0 |
0.522 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
B |
14 |
7 |
15978 |
x |
B |
x,y-1,z |
1_545 |
11 |
4 |
15978 |
151.8 |
1.3 |
0.617 |
0 |
4 |
0 |
0.000 |
| 10 |
10 |
|
B |
6 |
2 |
15978 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
15 |
4 |
15757 |
96.8 |
-1.7 |
0.120 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[SO4]A:403 |
4 |
1 |
187 |
f |
A |
x,y,z-1 |
1_554 |
13 |
4 |
15757 |
63.7 |
-8.8 |
0.859 |
0 |
0 |
0 |
0.025 |
| 12 |
12 |
|
A |
8 |
3 |
15757 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
6 |
3 |
15978 |
61.6 |
0.3 |
0.573 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[NI]B:402 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
15978 |
58.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.000 |
14 |
|
[NI]A:401 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
15757 |
51.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
55.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[SO4]A:403 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
15757 |
52.4 |
-6.2 |
0.510 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[SO4]A:404 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
15757 |
51.7 |
-6.0 |
0.772 |
0 |
0 |
0 |
0.017 |
| 16 |
17 |
|
[NI]B:401 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15978 |
45.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.086 |
18 |
|
[NI]A:402 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
15757 |
38.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
42.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.086 |
| 17 |
19 |
|
[SO4]A:403 |
4 |
1 |
187 |
f |
[NI]A:401 |
x,y,z |
1_555 |
1 |
1 |
115 |
37.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| 18 |
20 |
|
[SO4]A:404 |
3 |
1 |
185 |
f |
[NI]A:402 |
x,y,z |
1_555 |
1 |
1 |
115 |
32.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.019 |
| 19 |
21 |
|
B |
3 |
1 |
15978 |
◊ |
[SO4]A:404 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
21.1 |
-2.6 |
0.629 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
B |
4 |
3 |
15978 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
15757 |
19.4 |
-0.2 |
0.454 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[NI]A:401 |
1 |
1 |
115 |
f |
A |
x,y,z-1 |
1_554 |
2 |
2 |
15757 |
15.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 22 |
24 |
|
[NI]B:401 |
1 |
1 |
115 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
15978 |
13.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
B |
3 |
1 |
15978 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
2 |
1 |
15757 |
11.1 |
-0.3 |
0.364 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[NI]B:402 |
1 |
1 |
115 |
f |
B |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
15978 |
9.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 25 |
27 |
|
A |
2 |
1 |
15757 |
◊ |
[SO4]A:404 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
185 |
4.8 |
-0.6 |
0.640 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
B |
1 |
1 |
15978 |
◊ |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
15757 |
4.3 |
-0.0 |
0.504 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
B |
1 |
1 |
15978 |
◊ |
[NI]A:402 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
115 |
4.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
B |
1 |
1 |
15978 |
◊ |
[NI]A:402 |
x-1,y,z |
1_455 |
1 |
1 |
115 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
B |
1 |
1 |
15978 |
◊ |
[SO4]A:404 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
185 |
0.3 |
-0.0 |
0.784 |
0 |
0 |
0 |
0.000 |
|