| ## |
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 |
|
D |
76 |
18 |
5325 |
◊ |
C |
x,y,z |
1_555 |
75 |
22 |
4503 |
727.1 |
-6.1 |
0.308 |
8 |
3 |
0 |
0.088 |
| 2 |
2 |
|
B |
79 |
16 |
5572 |
◊ |
A |
x,y,z |
1_555 |
82 |
23 |
4502 |
708.5 |
-8.2 |
0.170 |
6 |
2 |
0 |
0.748 |
3 |
|
F |
79 |
16 |
5368 |
◊ |
E |
x,y,z |
1_555 |
74 |
20 |
4501 |
703.1 |
-7.6 |
0.233 |
6 |
1 |
0 |
0.748 |
| Average: |
705.8 |
-7.9 |
0.201 |
6 |
2 |
0 |
0.748 |
| 3 |
4 |
|
F |
59 |
11 |
5368 |
◊ |
F |
-x+2,y,-z+1 |
2_756 |
59 |
11 |
5368 |
528.3 |
-0.9 |
0.732 |
6 |
4 |
0 |
0.000 |
| 4 |
5 |
|
B |
54 |
11 |
5572 |
◊ |
A |
-x+3/2,y-1/2,-z |
4_645 |
47 |
13 |
4502 |
476.6 |
-4.1 |
0.322 |
1 |
3 |
0 |
0.000 |
| 5 |
6 |
|
B |
53 |
13 |
5572 |
◊ |
E |
x,y,z |
1_555 |
46 |
11 |
4501 |
400.5 |
-1.1 |
0.547 |
5 |
2 |
0 |
0.000 |
| 6 |
7 |
|
D |
41 |
12 |
5325 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
44 |
12 |
4502 |
399.4 |
-2.3 |
0.361 |
6 |
0 |
0 |
0.000 |
| 7 |
8 |
|
F |
40 |
9 |
5368 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
45 |
10 |
4503 |
377.0 |
-1.6 |
0.513 |
6 |
0 |
0 |
0.000 |
| 8 |
9 |
|
E |
30 |
10 |
4501 |
◊ |
E |
-x+2,y,-z+1 |
2_756 |
30 |
10 |
4501 |
290.1 |
1.3 |
0.710 |
5 |
0 |
0 |
0.000 |
| 9 |
10 |
|
B |
27 |
6 |
5572 |
x |
B |
-x+3/2,y-1/2,-z |
4_645 |
29 |
8 |
5572 |
274.0 |
1.5 |
0.799 |
5 |
7 |
0 |
0.000 |
| 10 |
11 |
|
E |
28 |
8 |
4501 |
◊ |
D |
-x+3/2,y-1/2,-z |
4_645 |
23 |
5 |
5325 |
204.0 |
-1.3 |
0.494 |
3 |
0 |
0 |
0.000 |
| 11 |
12 |
|
B |
20 |
6 |
5572 |
◊ |
D |
-x+3/2,y-1/2,-z |
4_645 |
16 |
4 |
5325 |
169.8 |
-1.4 |
0.421 |
1 |
0 |
0 |
0.000 |
| 12 |
13 |
|
B |
15 |
4 |
5572 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
4503 |
144.7 |
-2.0 |
0.298 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
C |
13 |
5 |
4503 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
4502 |
131.8 |
0.2 |
0.567 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
F |
13 |
4 |
5368 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
5572 |
96.8 |
0.7 |
0.747 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
F |
7 |
3 |
5368 |
◊ |
E |
-x+2,y,-z+1 |
2_756 |
10 |
3 |
4501 |
88.3 |
0.7 |
0.655 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
F |
8 |
2 |
5368 |
◊ |
F |
-x+2,y,-z |
2_755 |
8 |
2 |
5368 |
69.2 |
-0.7 |
0.531 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
B |
9 |
3 |
5572 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
4 |
4502 |
68.5 |
1.0 |
0.708 |
1 |
2 |
0 |
0.000 |
| 18 |
19 |
|
D |
11 |
5 |
5325 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
5572 |
62.7 |
1.9 |
0.809 |
2 |
2 |
0 |
0.000 |
| 19 |
20 |
|
[SO4]A:101 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
4502 |
54.2 |
-5.3 |
0.961 |
3 |
0 |
0 |
0.320 |
| 20 |
21 |
|
[SO4]A:101 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
4503 |
44.7 |
-4.6 |
0.896 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
E |
5 |
3 |
4501 |
◊ |
B |
-x+3/2,y-1/2,-z |
4_645 |
4 |
2 |
5572 |
36.1 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
F |
2 |
1 |
5368 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
2 |
5325 |
30.6 |
-0.7 |
0.339 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
A |
3 |
3 |
4502 |
x |
A |
-x+3/2,y-1/2,-z |
4_645 |
6 |
5 |
4502 |
17.7 |
0.3 |
0.680 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
D |
3 |
2 |
5325 |
x |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
3 |
2 |
5325 |
11.1 |
-0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[ZN]B:901 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
4501 |
8.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.252 |
27 |
|
[ZN]D:902 |
1 |
1 |
98 |
f |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
4502 |
7.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.252 |
28 |
|
[ZN]F:903 |
1 |
1 |
98 |
f |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
4503 |
3.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.252 |
| Average: |
6.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.252 |
| 26 |
29 |
|
D |
2 |
2 |
5325 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
3 |
2 |
4503 |
7.2 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
D |
2 |
1 |
5325 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
5572 |
2.7 |
0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[SO4]A:101 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5572 |
0.9 |
-0.1 |
0.859 |
0 |
0 |
0 |
0.004 |
|