| ## |
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 |
115 |
27 |
22986 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
117 |
28 |
23358 |
933.6 |
-6.0 |
0.387 |
8 |
0 |
0 |
0.036 |
| 2 |
2 |
|
[0LN]A:601 |
35 |
1 |
761 |
f |
A |
x,y,z |
1_555 |
55 |
20 |
23358 |
398.1 |
-6.4 |
0.581 |
4 |
0 |
0 |
0.031 |
| 3 |
3 |
|
B |
38 |
14 |
22986 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
48 |
11 |
23358 |
383.4 |
-0.2 |
0.596 |
6 |
4 |
0 |
0.000 |
| 4 |
4 |
|
B |
30 |
6 |
22986 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
38 |
15 |
22986 |
326.4 |
1.4 |
0.689 |
6 |
2 |
0 |
0.000 |
| 5 |
5 |
|
B |
30 |
9 |
22986 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
23358 |
277.7 |
-4.1 |
0.176 |
1 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
25 |
6 |
23358 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
26 |
9 |
22986 |
251.5 |
1.0 |
0.737 |
0 |
2 |
0 |
0.000 |
| 7 |
7 |
|
[GOL]A:606 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
23358 |
134.3 |
-0.8 |
0.491 |
2 |
0 |
0 |
0.006 |
| 8 |
8 |
|
[GOL]A:607 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
23358 |
129.0 |
-0.7 |
0.497 |
3 |
0 |
0 |
0.008 |
| 9 |
9 |
|
[GOL]B:612 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
22986 |
125.2 |
-0.2 |
0.547 |
6 |
0 |
0 |
0.011 |
| 10 |
10 |
|
[SO4]B:611 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
22986 |
122.5 |
-20.1 |
0.537 |
3 |
0 |
0 |
0.081 |
| 11 |
11 |
|
[GOL]B:616 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
22986 |
119.9 |
2.0 |
0.733 |
4 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[SO4]B:607 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
22986 |
111.6 |
-18.1 |
0.318 |
1 |
0 |
0 |
0.070 |
| 13 |
13 |
|
[SO4]B:609 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
22986 |
108.9 |
-16.3 |
0.646 |
1 |
0 |
0 |
0.064 |
| 14 |
14 |
|
[SO4]B:603 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
22986 |
108.9 |
-17.4 |
0.603 |
2 |
0 |
0 |
0.070 |
| 15 |
15 |
|
B |
10 |
5 |
22986 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
23358 |
105.5 |
0.2 |
0.654 |
1 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[SO4]B:605 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
22986 |
105.1 |
-14.8 |
0.909 |
6 |
0 |
0 |
0.067 |
| 17 |
17 |
|
[GOL]B:613 |
6 |
1 |
219 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
13 |
5 |
23358 |
93.2 |
0.1 |
0.580 |
3 |
0 |
0 |
0.006 |
18 |
|
[GOL]B:614 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
22986 |
89.0 |
0.2 |
0.513 |
1 |
0 |
0 |
0.006 |
| Average: |
91.1 |
0.1 |
0.546 |
2 |
0 |
0 |
0.006 |
| 18 |
19 |
|
[SO4]A:602 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
23358 |
91.7 |
-12.6 |
0.906 |
5 |
0 |
0 |
0.056 |
| 19 |
20 |
|
[GOL]B:614 |
6 |
1 |
219 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
13 |
4 |
23358 |
90.9 |
-0.5 |
0.445 |
0 |
0 |
0 |
0.007 |
21 |
|
[GOL]B:613 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
22986 |
87.3 |
-0.5 |
0.477 |
2 |
0 |
0 |
0.007 |
| Average: |
89.1 |
-0.5 |
0.461 |
1 |
0 |
0 |
0.007 |
| 20 |
22 |
|
[SO4]B:601 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
22986 |
90.5 |
-12.9 |
0.843 |
4 |
0 |
0 |
0.056 |
| 21 |
23 |
|
[SO4]B:610 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
22986 |
86.0 |
-11.9 |
0.795 |
2 |
0 |
0 |
0.049 |
| 22 |
24 |
|
[GOL]B:615 |
6 |
1 |
222 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
13 |
6 |
23358 |
85.7 |
0.6 |
0.677 |
2 |
0 |
0 |
0.001 |
| 23 |
25 |
|
[SO4]B:602 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
22986 |
83.2 |
-11.6 |
0.895 |
3 |
0 |
0 |
0.049 |
| 24 |
26 |
|
[SO4]B:604 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
22986 |
83.0 |
-11.3 |
0.868 |
4 |
0 |
0 |
0.050 |
| 25 |
27 |
|
[SO4]A:605 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
23358 |
80.6 |
-12.1 |
0.359 |
0 |
0 |
0 |
0.046 |
| 26 |
28 |
|
B |
9 |
6 |
22986 |
f |
[SO4]A:603 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
185 |
79.7 |
-12.0 |
0.388 |
0 |
0 |
0 |
0.046 |
| 27 |
29 |
|
[GOL]B:615 |
4 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
22986 |
70.4 |
-0.5 |
0.433 |
1 |
0 |
0 |
0.004 |
| 28 |
30 |
|
[SO4]B:606 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
22986 |
60.3 |
-7.5 |
0.807 |
2 |
0 |
0 |
0.032 |
| 29 |
31 |
|
[SO4]A:604 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
23358 |
58.5 |
-7.1 |
0.894 |
2 |
0 |
0 |
0.030 |
| 30 |
32 |
|
B |
7 |
2 |
22986 |
◊ |
[SO4]A:605 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
185 |
58.3 |
-6.1 |
0.936 |
1 |
0 |
0 |
0.025 |
| 31 |
33 |
|
[GOL]A:607 |
4 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
22986 |
57.1 |
-0.0 |
0.590 |
1 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[SO4]B:608 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
22986 |
56.1 |
-7.2 |
0.816 |
2 |
0 |
0 |
0.031 |
| 33 |
35 |
|
[SO4]A:603 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
23358 |
49.7 |
-5.6 |
0.935 |
1 |
0 |
0 |
0.023 |
| 34 |
36 |
|
[SO4]B:602 |
4 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
23358 |
41.4 |
-3.7 |
0.982 |
2 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[GOL]B:615 |
4 |
1 |
222 |
◊ |
[SO4]A:603 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
30.3 |
-3.5 |
0.692 |
1 |
0 |
0 |
0.015 |
| 36 |
38 |
|
[SO4]B:608 |
3 |
1 |
186 |
f |
[SO4]B:607 |
x,y,z |
1_555 |
4 |
1 |
186 |
24.1 |
-5.5 |
0.995 |
0 |
0 |
0 |
0.021 |
| 37 |
39 |
|
[SO4]B:601 |
1 |
1 |
184 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
22986 |
20.7 |
-3.0 |
0.470 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[SO4]B:609 |
1 |
1 |
184 |
f |
[SO4]B:604 |
x,y,z |
1_555 |
1 |
1 |
185 |
11.5 |
-2.8 |
0.800 |
0 |
0 |
0 |
0.011 |
|