| ## |
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 |
50 |
15 |
11321 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
11567 |
449.1 |
-3.7 |
0.421 |
4 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
43 |
15 |
11567 |
◊ |
B |
x-1,y,z+1 |
1_456 |
45 |
11 |
11321 |
388.6 |
-3.1 |
0.440 |
4 |
5 |
0 |
0.000 |
3 |
|
A |
44 |
11 |
11567 |
◊ |
B |
x-1,y-1,z+1 |
1_446 |
42 |
14 |
11321 |
379.9 |
-3.3 |
0.413 |
4 |
6 |
0 |
0.000 |
| Average: |
384.3 |
-3.2 |
0.426 |
4 |
6 |
0 |
0.000 |
| 3 |
4 |
|
B |
36 |
11 |
11321 |
◊ |
A |
x,y,z-1 |
1_554 |
31 |
9 |
11567 |
292.1 |
-2.0 |
0.476 |
3 |
0 |
0 |
0.000 |
5 |
|
A |
36 |
11 |
11567 |
◊ |
B |
x,y-1,z+1 |
1_546 |
31 |
9 |
11321 |
291.9 |
-1.4 |
0.547 |
3 |
0 |
0 |
0.000 |
| Average: |
292.0 |
-1.7 |
0.511 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
35 |
11 |
11567 |
x |
A |
x-1,y,z |
1_455 |
31 |
10 |
11567 |
279.1 |
-1.9 |
0.473 |
3 |
0 |
0 |
0.000 |
7 |
|
B |
31 |
11 |
11321 |
x |
B |
x-1,y,z |
1_455 |
34 |
10 |
11321 |
275.3 |
-2.7 |
0.431 |
3 |
0 |
0 |
0.000 |
| Average: |
277.2 |
-2.3 |
0.452 |
3 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[SF4]B:305 |
8 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
30 |
15 |
11321 |
195.4 |
-21.7 |
0.395 |
1 |
0 |
0 |
0.032 |
9 |
|
[SF4]A:302 |
8 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
29 |
15 |
11567 |
194.0 |
-21.5 |
0.276 |
1 |
0 |
0 |
0.032 |
| Average: |
194.7 |
-21.6 |
0.335 |
1 |
0 |
0 |
0.032 |
| 6 |
10 |
|
[SF4]A:301 |
8 |
1 |
310 |
f |
A |
x,y,z |
1_555 |
23 |
14 |
11567 |
192.6 |
-20.3 |
0.492 |
1 |
0 |
0 |
0.030 |
11 |
|
[SF4]B:304 |
8 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
11321 |
191.8 |
-20.0 |
0.549 |
0 |
0 |
0 |
0.030 |
| Average: |
192.2 |
-20.2 |
0.520 |
1 |
0 |
0 |
0.030 |
| 7 |
12 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11321 |
79.0 |
-11.4 |
0.844 |
3 |
0 |
0 |
0.016 |
| 8 |
13 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11567 |
65.0 |
-9.1 |
0.653 |
2 |
0 |
0 |
0.015 |
| 9 |
14 |
|
[SO4]B:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
11321 |
64.1 |
-9.0 |
0.650 |
2 |
0 |
0 |
0.012 |
| 10 |
15 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
11321 |
63.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.012 |
16 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
11567 |
61.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
62.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| 11 |
17 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
11321 |
58.1 |
-7.1 |
0.916 |
2 |
0 |
0 |
0.010 |
| 12 |
18 |
|
[SO4]A:304 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
11567 |
58.0 |
-6.8 |
0.915 |
2 |
0 |
0 |
0.011 |
| 13 |
19 |
|
A |
5 |
1 |
11567 |
◊ |
[SO4]B:303 |
x,y-1,z+1 |
1_546 |
4 |
1 |
185 |
48.9 |
-5.7 |
0.828 |
1 |
0 |
0 |
0.000 |
| 14 |
20 |
|
A |
8 |
4 |
11567 |
◊ |
[SO4]B:301 |
x,y-1,z+1 |
1_546 |
3 |
1 |
184 |
45.8 |
-6.1 |
0.607 |
1 |
0 |
0 |
0.000 |
| 15 |
21 |
|
B |
7 |
4 |
11321 |
◊ |
[SO4]A:303 |
x,y,z-1 |
1_554 |
3 |
1 |
186 |
45.3 |
-5.9 |
0.635 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
A |
3 |
1 |
11567 |
x |
A |
x,y-1,z |
1_545 |
2 |
1 |
11567 |
32.7 |
1.6 |
0.905 |
1 |
2 |
0 |
0.000 |
23 |
|
B |
3 |
1 |
11321 |
x |
B |
x,y-1,z |
1_545 |
3 |
1 |
11321 |
25.3 |
0.4 |
0.780 |
1 |
1 |
0 |
0.000 |
| Average: |
29.0 |
1.0 |
0.842 |
1 |
2 |
0 |
0.000 |
|