| ## |
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 |
67 |
18 |
12709 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
58 |
21 |
12687 |
628.7 |
-1.7 |
0.558 |
7 |
2 |
0 |
0.000 |
2 |
|
B |
58 |
21 |
12709 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
68 |
19 |
12687 |
618.5 |
-2.7 |
0.469 |
6 |
2 |
0 |
0.000 |
| Average: |
623.6 |
-2.2 |
0.514 |
7 |
2 |
0 |
0.000 |
| 2 |
3 |
|
A |
41 |
11 |
12687 |
x |
A |
-x,y-1/2,-z+2 |
2_547 |
40 |
10 |
12687 |
378.2 |
3.5 |
0.843 |
2 |
4 |
0 |
0.000 |
4 |
|
B |
39 |
10 |
12709 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
42 |
11 |
12709 |
376.3 |
3.0 |
0.821 |
2 |
4 |
0 |
0.000 |
| Average: |
377.2 |
3.3 |
0.832 |
2 |
4 |
0 |
0.000 |
| 3 |
5 |
|
B |
42 |
11 |
12709 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
12687 |
333.6 |
1.1 |
0.750 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
31 |
10 |
12709 |
◊ |
A |
x,y,z-1 |
1_554 |
32 |
10 |
12687 |
326.6 |
-5.2 |
0.125 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
23 |
6 |
12709 |
x |
B |
x-1,y,z |
1_455 |
17 |
6 |
12709 |
188.4 |
-2.1 |
0.342 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]A:503 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
12687 |
122.3 |
3.3 |
0.431 |
4 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]B:405 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
12709 |
120.6 |
3.4 |
0.612 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[SO4]B:402 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
12709 |
102.9 |
-15.2 |
0.814 |
4 |
0 |
0 |
0.034 |
| 9 |
11 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
12687 |
102.5 |
-15.3 |
0.808 |
4 |
0 |
0 |
0.041 |
| 10 |
12 |
|
[SO4]A:502 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
12687 |
91.4 |
-12.9 |
0.859 |
3 |
0 |
0 |
0.034 |
| 11 |
13 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
12709 |
90.7 |
-12.9 |
0.861 |
3 |
0 |
0 |
0.028 |
| 12 |
14 |
|
A |
11 |
4 |
12687 |
x |
A |
x-1,y,z |
1_455 |
10 |
4 |
12687 |
89.6 |
0.6 |
0.734 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[SO4]B:404 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12709 |
73.3 |
-9.1 |
0.838 |
3 |
0 |
0 |
0.021 |
| 14 |
16 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
12 |
5 |
12687 |
70.9 |
-8.9 |
0.836 |
3 |
0 |
0 |
0.025 |
| 15 |
17 |
|
[SO4]B:404 |
5 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
11 |
4 |
12687 |
68.0 |
-8.7 |
0.723 |
2 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[SO4]B:403 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12709 |
65.1 |
-8.2 |
0.715 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]B:406 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
12709 |
64.1 |
2.1 |
0.856 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:504 |
3 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
10 |
3 |
12687 |
63.4 |
2.1 |
0.300 |
1 |
0 |
0 |
0.000 |
| Average: |
63.7 |
2.1 |
0.578 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[SO4]A:505 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12709 |
57.9 |
-8.0 |
0.520 |
1 |
0 |
0 |
0.017 |
| 19 |
22 |
|
A |
7 |
1 |
12687 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
12709 |
56.6 |
0.2 |
0.630 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[SO4]A:505 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12687 |
56.1 |
-7.6 |
0.528 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]A:504 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12687 |
53.0 |
1.0 |
0.713 |
2 |
0 |
0 |
0.000 |
25 |
|
[EDO]B:406 |
4 |
1 |
183 |
f |
B |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
12709 |
52.4 |
0.9 |
0.701 |
2 |
0 |
0 |
0.000 |
| Average: |
52.7 |
0.9 |
0.707 |
2 |
0 |
0 |
0.000 |
| 22 |
26 |
|
B |
6 |
3 |
12709 |
◊ |
[SO4]B:402 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
184 |
50.7 |
-4.5 |
0.957 |
2 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[SO4]A:501 |
4 |
1 |
185 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
6 |
3 |
12687 |
49.6 |
-4.5 |
0.953 |
2 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[SO4]B:403 |
3 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
12687 |
32.7 |
-2.1 |
0.976 |
2 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[SO4]B:404 |
3 |
1 |
184 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
12709 |
26.6 |
-1.8 |
0.967 |
2 |
0 |
0 |
0.000 |
| 26 |
30 |
|
B |
2 |
1 |
12709 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
12687 |
20.7 |
0.3 |
0.710 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[EDO]B:405 |
1 |
1 |
187 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
12687 |
3.8 |
0.1 |
0.903 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
B |
1 |
1 |
12709 |
f |
[EDO]A:503 |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
184 |
2.7 |
0.2 |
0.901 |
0 |
0 |
0 |
0.000 |
|