## |
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 |
181 |
44 |
9016 |
◊ |
A |
x,y,z |
1_555 |
180 |
46 |
9086 |
1656.9 |
-19.4 |
0.040 |
29 |
0 |
0 |
0.191 |
2 |
2 |
|
A |
49 |
12 |
9086 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
60 |
17 |
9086 |
464.2 |
-1.8 |
0.505 |
3 |
1 |
0 |
0.000 |
3 |
3 |
|
B |
49 |
18 |
9016 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
34 |
11 |
9086 |
389.4 |
-1.9 |
0.454 |
4 |
2 |
0 |
0.003 |
4 |
4 |
|
A |
18 |
8 |
9086 |
x |
A |
x-1,y,z |
1_455 |
16 |
6 |
9086 |
153.3 |
-3.1 |
0.122 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
11 |
5 |
9016 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
2 |
9016 |
93.9 |
-1.6 |
0.257 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
[EDO]A:402 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
9086 |
91.0 |
2.1 |
0.273 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
[EDO]A:401 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
9086 |
87.8 |
2.8 |
0.467 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[SO4]A:501 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9086 |
84.2 |
-11.7 |
0.851 |
4 |
0 |
0 |
0.080 |
9 |
9 |
|
[SO4]B:502 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
9016 |
83.0 |
-12.5 |
0.685 |
3 |
0 |
0 |
0.082 |
10 |
10 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9016 |
78.5 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.132 |
11 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9086 |
74.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
76.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.132 |
11 |
12 |
|
[EDO]A:401 |
4 |
1 |
184 |
f |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
13 |
7 |
9086 |
66.4 |
1.5 |
0.838 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9086 |
53.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.038 |
13 |
14 |
|
B |
12 |
6 |
9016 |
◊ |
[SO4]A:501 |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
1 |
184 |
50.2 |
-6.2 |
0.695 |
0 |
0 |
0 |
0.005 |
14 |
15 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9016 |
40.6 |
-28.7 |
0.000 |
0 |
0 |
0 |
0.335 |
16 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
9086 |
37.8 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.335 |
Average: |
39.2 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.335 |
15 |
17 |
|
B |
4 |
2 |
9016 |
x |
B |
x-1,y,z |
1_455 |
3 |
2 |
9016 |
39.1 |
1.1 |
0.866 |
1 |
2 |
0 |
0.000 |
16 |
18 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9086 |
37.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.022 |
17 |
19 |
|
[ZN]A:302 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9016 |
26.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.128 |
20 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9086 |
25.6 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
25.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.128 |
18 |
21 |
|
B |
2 |
1 |
9016 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
9086 |
19.8 |
0.8 |
0.885 |
1 |
1 |
0 |
0.000 |
19 |
22 |
|
[EDO]A:402 |
3 |
1 |
184 |
f |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
9086 |
16.6 |
0.6 |
0.892 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
B |
2 |
2 |
9016 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
9016 |
8.9 |
-0.1 |
0.495 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
A |
3 |
1 |
9086 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
9016 |
6.7 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
|