## |
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 |
91 |
23 |
7523 |
◊ |
A |
x,y,z |
1_555 |
91 |
23 |
7579 |
908.5 |
-14.8 |
0.024 |
9 |
0 |
0 |
0.101 |
2 |
2 |
|
B |
82 |
20 |
7523 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
82 |
20 |
7579 |
746.4 |
-3.2 |
0.462 |
6 |
12 |
0 |
0.036 |
3 |
3 |
|
B |
46 |
16 |
7523 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
17 |
7579 |
459.3 |
8.1 |
0.973 |
4 |
22 |
0 |
0.000 |
4 |
4 |
|
B |
26 |
5 |
7523 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
25 |
5 |
7579 |
192.9 |
-2.5 |
0.303 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
14 |
6 |
7523 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
18 |
5 |
7579 |
108.1 |
-0.5 |
0.519 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[SO4]B:2 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
7523 |
104.9 |
-19.3 |
0.281 |
4 |
0 |
0 |
0.113 |
7 |
7 |
|
[SO4]A:1 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
7579 |
104.1 |
-19.3 |
0.283 |
3 |
0 |
0 |
0.110 |
8 |
8 |
|
A |
8 |
3 |
7579 |
x |
A |
x-1,y,z |
1_455 |
9 |
4 |
7579 |
71.7 |
-1.3 |
0.278 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[BCT]B:212 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7523 |
69.3 |
0.4 |
0.556 |
2 |
0 |
0 |
0.003 |
10 |
10 |
|
[BCT]A:212 |
4 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
7579 |
67.5 |
0.3 |
0.545 |
2 |
0 |
0 |
0.003 |
11 |
11 |
|
[ZN]A:6 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
7579 |
41.6 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.216 |
12 |
|
[ZN]B:5 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
7523 |
39.2 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.216 |
Average: |
40.4 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.216 |
12 |
13 |
|
[ZN]B:3 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
7523 |
37.3 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.304 |
14 |
|
[ZN]A:4 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
7579 |
36.9 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.304 |
Average: |
37.1 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.304 |
13 |
15 |
|
[ZN]B:5 |
1 |
1 |
98 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
4 |
3 |
7579 |
35.6 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.161 |
16 |
|
B |
4 |
3 |
7523 |
◊ |
[ZN]A:6 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
32.9 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.161 |
Average: |
34.3 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.161 |
14 |
17 |
|
[ZN]A:4 |
1 |
1 |
98 |
f |
[SO4]A:1 |
x,y,z |
1_555 |
4 |
1 |
186 |
27.0 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.075 |
15 |
18 |
|
[ZN]B:3 |
1 |
1 |
98 |
f |
[SO4]B:2 |
x,y,z |
1_555 |
4 |
1 |
186 |
26.7 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.075 |
16 |
19 |
|
[ZN]B:5 |
1 |
1 |
98 |
◊ |
[ZN]A:6 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
2.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
|