## |
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 |
172 |
45 |
16394 |
◊ |
A |
x,y,z |
1_555 |
172 |
42 |
16295 |
1609.9 |
-11.8 |
0.397 |
26 |
13 |
0 |
0.071 |
2 |
2 |
|
B |
56 |
15 |
16394 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
48 |
17 |
16295 |
500.7 |
0.1 |
0.758 |
5 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
51 |
17 |
16394 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
41 |
14 |
16295 |
477.7 |
-2.9 |
0.393 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
34 |
12 |
16394 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
34 |
10 |
16394 |
275.3 |
-1.1 |
0.599 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
25 |
9 |
16394 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
28 |
9 |
16295 |
206.1 |
-2.3 |
0.381 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[SO4]B:401 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
16394 |
112.2 |
-14.8 |
0.590 |
2 |
0 |
0 |
0.044 |
7 |
7 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
16295 |
109.7 |
-14.6 |
0.599 |
4 |
0 |
0 |
0.046 |
8 |
8 |
|
[SO4]B:402 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
16295 |
62.0 |
-7.5 |
0.930 |
3 |
0 |
0 |
0.025 |
9 |
9 |
|
[SO4]B:402 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
16394 |
51.8 |
-6.6 |
0.914 |
2 |
0 |
0 |
0.021 |
10 |
10 |
|
B |
8 |
5 |
16394 |
x |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
4 |
16394 |
49.5 |
0.8 |
0.794 |
0 |
1 |
0 |
0.000 |
11 |
11 |
|
B |
6 |
2 |
16394 |
◊ |
[SO4]B:402 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
184 |
47.1 |
-4.6 |
0.912 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
[ZN]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
16394 |
42.1 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.171 |
13 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
16295 |
41.8 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
42.0 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.171 |
13 |
14 |
|
[SO4]B:401 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
16295 |
39.9 |
-4.0 |
0.958 |
2 |
0 |
0 |
0.014 |
14 |
15 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16394 |
38.4 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.159 |
16 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16295 |
37.6 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.159 |
Average: |
38.0 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.159 |
15 |
17 |
|
[ZN]B:406 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
16394 |
38.1 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.055 |
16 |
18 |
|
[ZN]B:405 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
16394 |
37.9 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.103 |
19 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16295 |
37.9 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.103 |
Average: |
37.9 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.103 |
17 |
20 |
|
[SO4]A:401 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
16394 |
37.6 |
-3.8 |
0.961 |
2 |
0 |
0 |
0.013 |
18 |
21 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
16394 |
37.5 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.102 |
22 |
|
[ZN]B:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
16295 |
35.1 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
36.3 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.102 |
19 |
23 |
|
[ZN]B:406 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
5 |
3 |
16295 |
35.7 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.045 |
20 |
24 |
|
A |
3 |
1 |
16295 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
16295 |
34.8 |
0.3 |
0.423 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
B |
2 |
1 |
16394 |
◊ |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
3 |
1 |
16295 |
28.2 |
-0.3 |
0.232 |
0 |
1 |
0 |
0.000 |
22 |
26 |
|
[ZN]B:404 |
1 |
1 |
98 |
f |
[ZN]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.1 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.038 |
23 |
27 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.038 |
24 |
28 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
[SO4]A:401 |
x,y,z |
1_555 |
1 |
1 |
186 |
13.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.019 |
25 |
29 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
[SO4]B:401 |
x,y,z |
1_555 |
3 |
1 |
184 |
12.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.017 |
26 |
30 |
|
[ZN]B:406 |
1 |
1 |
98 |
f |
[SO4]A:401 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.009 |
27 |
31 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[SO4]A:401 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.006 |
28 |
32 |
|
[ZN]B:404 |
1 |
1 |
98 |
f |
[SO4]B:401 |
x,y,z |
1_555 |
1 |
1 |
184 |
3.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.005 |
29 |
33 |
|
B |
2 |
1 |
16394 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
16295 |
3.0 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
|