## |
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 |
72 |
20 |
7749 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
7610 |
686.7 |
-11.4 |
0.095 |
4 |
0 |
0 |
0.077 |
2 |
2 |
|
F |
65 |
21 |
7749 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
63 |
18 |
7610 |
572.4 |
-2.8 |
0.562 |
1 |
3 |
0 |
0.000 |
3 |
|
F |
53 |
17 |
7749 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
61 |
18 |
7610 |
525.3 |
-4.0 |
0.429 |
1 |
3 |
0 |
0.000 |
Average: |
548.8 |
-3.4 |
0.495 |
1 |
3 |
0 |
0.000 |
3 |
4 |
|
F |
36 |
11 |
7749 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
38 |
14 |
7610 |
316.8 |
0.4 |
0.744 |
3 |
1 |
0 |
0.000 |
4 |
5 |
|
[ZO0]F:170 |
20 |
1 |
484 |
f |
F |
x,y,z |
1_555 |
32 |
9 |
7749 |
218.0 |
2.0 |
0.362 |
7 |
0 |
0 |
0.014 |
6 |
|
[ZO0]A:170 |
20 |
1 |
483 |
f |
A |
x,y,z |
1_555 |
33 |
9 |
7610 |
206.7 |
2.2 |
0.380 |
8 |
0 |
0 |
0.014 |
Average: |
212.4 |
2.1 |
0.371 |
8 |
0 |
0 |
0.014 |
5 |
7 |
|
A |
20 |
8 |
7610 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
12 |
7610 |
203.3 |
-1.9 |
0.454 |
2 |
0 |
0 |
0.000 |
8 |
|
F |
26 |
12 |
7749 |
x |
F |
-x+1,y-1/2,-z |
2_645 |
20 |
7 |
7749 |
201.3 |
-1.1 |
0.541 |
2 |
0 |
0 |
0.000 |
Average: |
202.3 |
-1.5 |
0.497 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
F |
23 |
7 |
7749 |
x |
F |
x-1,y,z |
1_455 |
21 |
9 |
7749 |
195.5 |
-1.4 |
0.489 |
0 |
1 |
0 |
0.000 |
7 |
10 |
|
A |
17 |
5 |
7610 |
x |
A |
x-1,y,z |
1_455 |
24 |
7 |
7610 |
162.8 |
-0.5 |
0.612 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[SO4]F:157 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
7610 |
103.8 |
-16.3 |
0.505 |
4 |
0 |
0 |
0.106 |
9 |
12 |
|
[SO4]A:156 |
5 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
16 |
9 |
7749 |
94.9 |
-14.7 |
0.511 |
3 |
0 |
0 |
0.094 |
10 |
13 |
|
[SO4]F:156 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
7749 |
91.8 |
-13.2 |
0.746 |
4 |
0 |
0 |
0.087 |
11 |
14 |
|
[CU]F:154 |
1 |
1 |
125 |
f |
[ZN]F:154A |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.087 |
12 |
15 |
|
[CU]A:154 |
1 |
1 |
125 |
f |
[ZN]A:154A |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.087 |
13 |
16 |
|
[SO4]F:157 |
3 |
1 |
185 |
f |
[CU]A:154 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.034 |
14 |
17 |
|
[ZN]A:154A |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
3 |
3 |
7610 |
25.6 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.234 |
18 |
|
[ZN]F:154A |
1 |
1 |
98 |
cf |
F |
x,y,z |
1_555 |
3 |
3 |
7749 |
25.5 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.234 |
Average: |
25.5 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.234 |
15 |
19 |
|
[SO4]A:156 |
3 |
1 |
183 |
f |
[CU]F:154 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.032 |
16 |
20 |
|
[SO4]F:157 |
3 |
1 |
185 |
f |
[ZN]A:154A |
x,y,z |
1_555 |
1 |
1 |
98 |
22.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.061 |
17 |
21 |
|
[SO4]A:156 |
3 |
1 |
183 |
f |
[ZN]F:154A |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.059 |
18 |
22 |
|
[SO4]F:156 |
2 |
1 |
185 |
f |
[SO4]A:156 |
x,y,z |
1_555 |
2 |
1 |
183 |
20.1 |
-4.8 |
0.960 |
0 |
0 |
0 |
0.028 |
19 |
23 |
|
F |
3 |
1 |
7749 |
◊ |
[ZO0]A:170 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
483 |
17.2 |
0.7 |
0.694 |
0 |
0 |
0 |
0.000 |
24 |
|
[ZO0]F:170 |
1 |
1 |
484 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
7610 |
10.5 |
0.4 |
0.671 |
0 |
0 |
0 |
0.000 |
Average: |
13.8 |
0.6 |
0.683 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
F |
3 |
1 |
7749 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
7610 |
14.3 |
-0.4 |
0.371 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[ZO0]A:170 |
2 |
1 |
483 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
7610 |
8.2 |
0.3 |
0.505 |
0 |
0 |
0 |
0.000 |
27 |
|
F |
1 |
1 |
7749 |
◊ |
[ZO0]F:170 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
484 |
2.1 |
0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
Average: |
5.1 |
0.1 |
0.472 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
F |
1 |
1 |
7749 |
x |
F |
-x,y-1/2,-z |
2_545 |
1 |
1 |
7749 |
2.7 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[ZO0]F:170 |
1 |
1 |
484 |
◊ |
[ZO0]A:170 |
x,y,z-1 |
1_554 |
1 |
1 |
483 |
0.5 |
0.0 |
0.395 |
0 |
0 |
0 |
0.000 |
|