## |
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 |
71 |
20 |
7637 |
◊ |
A |
x,y,z |
1_555 |
72 |
21 |
7761 |
688.8 |
-11.4 |
0.086 |
4 |
0 |
0 |
0.058 |
2 |
2 |
|
A |
42 |
13 |
7761 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
52 |
16 |
7637 |
463.1 |
-3.8 |
0.348 |
0 |
2 |
0 |
0.000 |
3 |
|
A |
52 |
18 |
7761 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
40 |
13 |
7637 |
435.2 |
-2.6 |
0.490 |
1 |
2 |
0 |
0.000 |
Average: |
449.2 |
-3.2 |
0.419 |
1 |
2 |
0 |
0.000 |
3 |
4 |
|
A |
39 |
13 |
7761 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
12 |
7637 |
359.7 |
0.4 |
0.699 |
2 |
1 |
0 |
0.000 |
4 |
5 |
|
A |
30 |
10 |
7761 |
x |
A |
x-1,y,z |
1_455 |
25 |
9 |
7761 |
240.3 |
-0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
F |
23 |
7 |
7637 |
x |
F |
x-1,y,z |
1_455 |
18 |
6 |
7637 |
170.7 |
-0.1 |
0.668 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
23 |
10 |
7761 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
15 |
8 |
7761 |
145.8 |
-0.3 |
0.609 |
2 |
0 |
0 |
0.000 |
8 |
|
F |
12 |
5 |
7637 |
x |
F |
-x,y-1/2,-z |
2_545 |
19 |
10 |
7637 |
131.9 |
-0.5 |
0.593 |
1 |
0 |
0 |
0.000 |
Average: |
138.8 |
-0.4 |
0.601 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
[SO4]F:156 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
7637 |
95.5 |
-14.6 |
0.527 |
2 |
0 |
0 |
0.068 |
8 |
10 |
|
[SO4]A:161 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
7761 |
94.9 |
-14.6 |
0.511 |
2 |
0 |
0 |
0.068 |
9 |
11 |
|
[ACT]A:160 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
7761 |
93.2 |
-0.9 |
0.478 |
1 |
0 |
0 |
0.006 |
10 |
12 |
|
[SO4]A:158 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
7761 |
90.1 |
-13.2 |
0.678 |
1 |
0 |
0 |
0.060 |
11 |
13 |
|
[SO4]A:157 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
7637 |
90.0 |
-13.2 |
0.693 |
1 |
0 |
0 |
0.060 |
12 |
14 |
|
[SO4]A:163 |
5 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
7637 |
86.3 |
-13.1 |
0.673 |
1 |
0 |
0 |
0.059 |
13 |
15 |
|
[SO4]A:156 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
7761 |
82.3 |
-12.5 |
0.666 |
1 |
0 |
0 |
0.056 |
14 |
16 |
|
A |
11 |
4 |
7761 |
◊ |
F |
x,y-1,z |
1_545 |
11 |
4 |
7637 |
81.0 |
-0.8 |
0.491 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[CL]A:162 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
7761 |
70.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.079 |
18 |
|
[CL]F:160 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
7637 |
69.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
69.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.079 |
16 |
19 |
|
[ACT]A:160 |
4 |
1 |
182 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
7 |
2 |
7637 |
52.2 |
0.9 |
0.703 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
A |
2 |
1 |
7761 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
4 |
7761 |
32.7 |
1.3 |
0.848 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
A |
3 |
2 |
7761 |
◊ |
[CL]F:160 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
31.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
|
[CL]A:162 |
1 |
1 |
125 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
7637 |
31.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
31.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[ZN]A:154A |
1 |
1 |
98 |
f |
[CU]A:154 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.8 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.065 |
20 |
24 |
|
[ZN]F:154A |
1 |
1 |
98 |
f |
[CU]F:154 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.1 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.063 |
21 |
25 |
|
[ZN]F:154A |
1 |
1 |
98 |
cf |
F |
x,y,z |
1_555 |
3 |
3 |
7637 |
25.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.176 |
26 |
|
[ZN]A:154A |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
3 |
3 |
7761 |
25.5 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.176 |
Average: |
25.7 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.176 |
22 |
27 |
|
[SO4]A:161 |
3 |
1 |
184 |
f |
[CU]A:154 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.045 |
28 |
|
[SO4]F:156 |
3 |
1 |
186 |
f |
[CU]F:154 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
24.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.045 |
23 |
29 |
|
[SO4]F:156 |
4 |
1 |
186 |
f |
[SO4]A:157 |
x,y,z |
1_555 |
3 |
1 |
184 |
23.2 |
-5.2 |
0.995 |
0 |
0 |
0 |
0.023 |
24 |
30 |
|
[SO4]A:161 |
2 |
1 |
184 |
f |
[SO4]A:158 |
x,y,z |
1_555 |
3 |
1 |
185 |
22.3 |
-5.1 |
0.976 |
0 |
0 |
0 |
0.022 |
25 |
31 |
|
[SO4]F:156 |
3 |
1 |
186 |
f |
[ZN]F:154A |
x,y,z |
1_555 |
1 |
1 |
98 |
20.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.088 |
32 |
|
[SO4]A:161 |
3 |
1 |
184 |
f |
[ZN]A:154A |
x,y,z |
1_555 |
1 |
1 |
98 |
20.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
20.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.088 |
26 |
33 |
|
[SO4]A:156 |
1 |
1 |
183 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
2 |
1 |
7637 |
6.7 |
-0.7 |
0.762 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[SO4]F:156 |
1 |
1 |
186 |
f |
[SO4]A:163 |
x,y,z |
1_555 |
1 |
1 |
183 |
3.7 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.004 |
28 |
35 |
|
A |
1 |
1 |
7761 |
◊ |
[SO4]A:163 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
183 |
2.4 |
-0.2 |
0.899 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
A |
1 |
1 |
7761 |
◊ |
[SO4]A:157 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
184 |
0.1 |
-0.0 |
0.773 |
0 |
0 |
0 |
0.000 |
|