## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
59 |
16 |
7453 |
x |
A |
-x-3/2,y-1/2,-z |
4_345 |
65 |
22 |
7453 |
585.5 |
-6.3 |
0.292 |
2 |
7 |
0 |
0.000 |
2 |
|
A |
41 |
11 |
7453 |
◊ |
A |
-x-1,y,-z+1 |
2_456 |
42 |
11 |
7453 |
385.8 |
-0.0 |
0.735 |
6 |
4 |
0 |
0.000 |
3 |
|
A |
33 |
9 |
7453 |
◊ |
A |
-x-1,y,-z |
2_455 |
33 |
9 |
7453 |
240.9 |
0.3 |
0.733 |
2 |
2 |
0 |
0.004 |
4 |
|
A |
15 |
8 |
7453 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
17 |
9 |
7453 |
141.0 |
-0.8 |
0.537 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
20 |
7 |
7453 |
x |
A |
-x-3/2,y-1/2,-z+1 |
4_346 |
14 |
5 |
7453 |
128.5 |
1.2 |
0.780 |
1 |
0 |
0 |
0.000 |
6 |
|
[SO4]A:203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
7453 |
108.1 |
-13.1 |
0.916 |
3 |
0 |
0 |
0.126 |
7 |
|
A |
8 |
4 |
7453 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
11 |
3 |
7453 |
86.6 |
-0.6 |
0.473 |
0 |
0 |
0 |
0.000 |
8 |
|
[SO4]A:202 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
7453 |
77.2 |
-9.1 |
0.894 |
2 |
0 |
0 |
0.087 |
9 |
|
A |
9 |
2 |
7453 |
◊ |
A |
-x-2,y,-z |
2_355 |
9 |
2 |
7453 |
74.6 |
-0.5 |
0.532 |
0 |
0 |
0 |
0.000 |
10 |
|
[SO4]A:201 |
5 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
7453 |
73.8 |
-10.2 |
0.810 |
4 |
0 |
0 |
0.105 |
11 |
|
[SO4]A:201 |
5 |
1 |
183 |
f |
A |
-x-1,y,-z |
2_455 |
12 |
5 |
7453 |
73.6 |
-10.2 |
0.809 |
4 |
0 |
0 |
0.105 |
12 |
|
[NI]A:206 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
7453 |
42.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.043 |
13 |
|
[NI]A:208 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
7453 |
41.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.043 |
14 |
|
[NI]A:205 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7453 |
38.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.060 |
15 |
|
[NI]A:204 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
7453 |
34.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.046 |
16 |
|
[NI]A:207 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7453 |
33.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.023 |
17 |
|
A |
6 |
3 |
7453 |
◊ |
A |
-x-2,y,-z+1 |
2_356 |
6 |
3 |
7453 |
33.0 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
18 |
|
[NI]A:207 |
1 |
1 |
115 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
4 |
1 |
184 |
25.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.047 |
19 |
|
[NI]A:206 |
1 |
1 |
115 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
4 |
1 |
184 |
23.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.043 |
20 |
|
[NI]A:205 |
1 |
1 |
115 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
3 |
1 |
184 |
22.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.042 |
21 |
|
[NI]A:204 |
1 |
1 |
115 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
4 |
1 |
184 |
21.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.040 |
22 |
|
[NI]A:207 |
1 |
1 |
115 |
f |
[NI]A:206 |
x,y,z |
1_555 |
1 |
1 |
115 |
18.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.032 |
23 |
|
[NI]A:205 |
1 |
1 |
115 |
f |
[NI]A:204 |
x,y,z |
1_555 |
1 |
1 |
115 |
16.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.028 |
24 |
|
[SO4]A:203 |
4 |
1 |
186 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
2 |
1 |
184 |
15.7 |
-3.5 |
0.979 |
0 |
0 |
0 |
0.031 |
25 |
|
[NI]A:207 |
1 |
1 |
115 |
f |
[SO4]A:203 |
x,y,z |
1_555 |
3 |
1 |
186 |
15.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.029 |
26 |
|
[NI]A:207 |
1 |
1 |
115 |
f |
[NI]A:204 |
x,y,z |
1_555 |
1 |
1 |
115 |
14.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.026 |
27 |
|
[NI]A:206 |
1 |
1 |
115 |
f |
[NI]A:204 |
x,y,z |
1_555 |
1 |
1 |
115 |
14.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.025 |
28 |
|
[SO4]A:203 |
1 |
1 |
186 |
◊ |
A |
-x-3/2,y-1/2,-z |
4_345 |
3 |
2 |
7453 |
13.4 |
-1.5 |
0.766 |
0 |
0 |
0 |
0.000 |
29 |
|
[NI]A:207 |
1 |
1 |
115 |
f |
[NI]A:205 |
x,y,z |
1_555 |
1 |
1 |
115 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.008 |
30 |
|
[NI]A:206 |
1 |
1 |
115 |
f |
[NI]A:205 |
x,y,z |
1_555 |
1 |
1 |
115 |
3.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
|