## |
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 |
|
F |
73 |
22 |
7662 |
◊ |
A |
x,y,z |
1_555 |
71 |
18 |
7621 |
680.1 |
-10.9 |
0.104 |
4 |
0 |
0 |
0.076 |
2 |
2 |
|
A |
46 |
13 |
7621 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
17 |
7662 |
435.4 |
-3.4 |
0.421 |
1 |
2 |
0 |
0.000 |
3 |
|
A |
52 |
17 |
7621 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
39 |
14 |
7662 |
431.0 |
-3.6 |
0.389 |
2 |
1 |
0 |
0.000 |
Average: |
433.2 |
-3.5 |
0.405 |
2 |
2 |
0 |
0.000 |
3 |
4 |
|
A |
41 |
13 |
7621 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
38 |
12 |
7662 |
359.0 |
-1.0 |
0.604 |
2 |
1 |
0 |
0.000 |
4 |
5 |
|
A |
23 |
9 |
7621 |
x |
A |
x-1,y,z |
1_455 |
25 |
7 |
7621 |
204.7 |
-1.4 |
0.493 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
F |
25 |
7 |
7662 |
x |
F |
x-1,y,z |
1_455 |
16 |
6 |
7662 |
160.4 |
-0.1 |
0.648 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
F |
13 |
8 |
7662 |
x |
F |
-x+1,y-1/2,-z |
2_645 |
26 |
12 |
7662 |
142.7 |
-1.5 |
0.458 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
22 |
10 |
7621 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
7621 |
137.4 |
-0.5 |
0.579 |
2 |
0 |
0 |
0.000 |
Average: |
140.0 |
-1.0 |
0.518 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
14 |
4 |
7621 |
◊ |
F |
x,y-1,z |
1_545 |
15 |
4 |
7662 |
106.5 |
-0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[SO4]F:1154 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
17 |
10 |
7662 |
102.2 |
-16.1 |
0.531 |
4 |
0 |
0 |
0.214 |
11 |
|
[SO4]A:1154 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
7621 |
100.5 |
-16.2 |
0.524 |
3 |
0 |
0 |
0.214 |
Average: |
101.4 |
-16.1 |
0.528 |
4 |
0 |
0 |
0.214 |
9 |
12 |
|
[ACT]F:1158 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
14 |
8 |
7662 |
98.6 |
-1.0 |
0.531 |
2 |
0 |
0 |
0.011 |
10 |
13 |
|
[ACT]F:1159 |
4 |
1 |
184 |
cf |
F |
x,y,z |
1_555 |
14 |
6 |
7662 |
90.2 |
-0.6 |
0.602 |
0 |
0 |
0 |
0.004 |
11 |
14 |
|
[SO4]A:1155 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
7621 |
83.0 |
-12.5 |
0.714 |
1 |
0 |
0 |
0.078 |
12 |
15 |
|
A |
4 |
2 |
7621 |
◊ |
[ACT]F:1158 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
183 |
43.3 |
-0.9 |
0.395 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[ZN]A:1159 |
1 |
1 |
98 |
f |
[CU]A:1157 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.5 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.089 |
14 |
17 |
|
[ZN]F:1155 |
1 |
1 |
98 |
f |
[CU]F:1156 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.4 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.095 |
15 |
18 |
|
[CU]F:1156 |
1 |
1 |
125 |
f |
[SO4]F:1154 |
x,y,z |
1_555 |
3 |
1 |
184 |
27.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.070 |
19 |
|
[CU]A:1157 |
1 |
1 |
125 |
f |
[SO4]A:1154 |
x,y,z |
1_555 |
3 |
1 |
183 |
25.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
26.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.070 |
16 |
20 |
|
[ZN]A:1159 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
7621 |
25.4 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.238 |
21 |
|
[ZN]F:1155 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
7662 |
24.2 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.238 |
Average: |
24.8 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.238 |
17 |
22 |
|
[ACT]F:1159 |
3 |
1 |
184 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
1 |
7662 |
24.9 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[ZN]A:1159 |
1 |
1 |
98 |
f |
[SO4]A:1154 |
x,y,z |
1_555 |
3 |
1 |
183 |
22.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.123 |
24 |
|
[ZN]F:1155 |
1 |
1 |
98 |
f |
[SO4]F:1154 |
x,y,z |
1_555 |
3 |
1 |
184 |
21.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
21.6 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.123 |
19 |
25 |
|
A |
2 |
1 |
7621 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
7621 |
15.5 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[SO4]A:1155 |
1 |
1 |
185 |
f |
[SO4]A:1154 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.9 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.001 |
|