| ## |
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 |
|
A |
80 |
28 |
11507 |
x |
A |
x-1,y,z |
1_455 |
80 |
24 |
11507 |
722.3 |
-4.3 |
0.367 |
5 |
2 |
0 |
0.000 |
| 2 |
2 |
|
A |
66 |
18 |
11507 |
◊ |
B |
x-1,y+1,z+1 |
1_466 |
69 |
21 |
11119 |
657.5 |
-2.4 |
0.282 |
9 |
0 |
0 |
0.000 |
3 |
|
A |
57 |
18 |
11507 |
◊ |
B |
x-1,y,z+1 |
1_456 |
51 |
14 |
11119 |
557.1 |
-2.8 |
0.325 |
6 |
0 |
0 |
0.000 |
| Average: |
607.3 |
-2.6 |
0.303 |
8 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
56 |
16 |
11119 |
x |
B |
x-1,y,z |
1_455 |
71 |
22 |
11119 |
581.5 |
-4.7 |
0.191 |
3 |
1 |
0 |
0.000 |
| 4 |
5 |
|
B |
52 |
14 |
11119 |
◊ |
A |
x,y-1,z |
1_545 |
54 |
17 |
11507 |
461.3 |
-2.0 |
0.549 |
3 |
0 |
0 |
0.000 |
6 |
|
B |
56 |
18 |
11119 |
◊ |
A |
x,y,z |
1_555 |
47 |
14 |
11507 |
435.8 |
-0.6 |
0.610 |
5 |
1 |
0 |
0.000 |
| Average: |
448.5 |
-1.3 |
0.580 |
4 |
1 |
0 |
0.000 |
| 5 |
7 |
|
A |
54 |
23 |
11507 |
x |
A |
x,y-1,z |
1_545 |
51 |
17 |
11507 |
450.1 |
-2.0 |
0.560 |
2 |
4 |
0 |
0.000 |
8 |
|
B |
56 |
22 |
11119 |
x |
B |
x,y-1,z |
1_545 |
48 |
16 |
11119 |
399.9 |
-1.9 |
0.539 |
3 |
4 |
0 |
0.000 |
| Average: |
425.0 |
-2.0 |
0.550 |
3 |
4 |
0 |
0.000 |
| 6 |
9 |
|
[C8Y]A:301 |
15 |
1 |
376 |
cf |
A |
x,y,z |
1_555 |
42 |
16 |
11507 |
243.8 |
-0.3 |
0.614 |
6 |
0 |
0 |
0.011 |
10 |
|
[C8Y]B:301 |
15 |
1 |
373 |
cf |
B |
x,y,z |
1_555 |
34 |
12 |
11119 |
229.4 |
-0.3 |
0.601 |
8 |
0 |
0 |
0.011 |
| Average: |
236.6 |
-0.3 |
0.608 |
7 |
0 |
0 |
0.011 |
| 7 |
11 |
|
[ACT]B:306 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
11119 |
112.5 |
-0.4 |
0.697 |
4 |
0 |
0 |
0.006 |
| 8 |
12 |
|
[ACT]A:304 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
11507 |
106.3 |
-0.6 |
0.679 |
3 |
0 |
0 |
0.007 |
| 9 |
13 |
|
B |
13 |
3 |
11119 |
x |
B |
x-1,y+1,z |
1_465 |
12 |
5 |
11119 |
100.3 |
-0.8 |
0.386 |
1 |
1 |
0 |
0.000 |
| 10 |
14 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
11119 |
71.3 |
-10.7 |
0.742 |
4 |
0 |
0 |
0.036 |
| 11 |
15 |
|
A |
8 |
4 |
11507 |
◊ |
B |
x-1,y+1,z |
1_465 |
11 |
3 |
11119 |
71.0 |
-0.9 |
0.372 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[SO4]B:304 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
11119 |
62.8 |
-8.6 |
0.762 |
2 |
0 |
0 |
0.028 |
| 13 |
17 |
|
[SO4]B:304 |
4 |
1 |
187 |
◊ |
B |
x-1,y+1,z |
1_465 |
11 |
6 |
11119 |
60.6 |
-8.3 |
0.754 |
2 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[SO4]B:302 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11507 |
58.0 |
-7.2 |
0.767 |
0 |
0 |
0 |
0.026 |
| 15 |
19 |
|
[SO4]A:302 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11507 |
57.0 |
-7.9 |
0.687 |
0 |
0 |
0 |
0.028 |
| 16 |
20 |
|
B |
9 |
4 |
11119 |
◊ |
[SO4]B:302 |
x,y-1,z |
1_545 |
5 |
1 |
188 |
53.7 |
-6.7 |
0.760 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[SO4]B:302 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
11119 |
50.8 |
-5.1 |
0.977 |
4 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
11119 |
47.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.022 |
23 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11507 |
46.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
47.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 19 |
24 |
|
[CL]B:305 |
1 |
1 |
125 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
11507 |
46.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11119 |
46.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
46.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[SO4]A:302 |
4 |
1 |
187 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
11507 |
45.4 |
-5.0 |
0.966 |
4 |
0 |
0 |
0.000 |
| 21 |
27 |
|
B |
6 |
3 |
11119 |
◊ |
[SO4]B:304 |
x,y-1,z |
1_545 |
4 |
1 |
187 |
43.1 |
-4.8 |
0.774 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[SO4]A:302 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11119 |
40.4 |
-5.0 |
0.811 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
B |
5 |
2 |
11119 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
2 |
11507 |
39.3 |
1.2 |
0.867 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[SO4]B:303 |
1 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
11119 |
18.4 |
-2.3 |
0.739 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
A |
3 |
2 |
11507 |
◊ |
[ACT]A:304 |
x-1,y,z |
1_455 |
1 |
1 |
184 |
17.5 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
A |
1 |
1 |
11507 |
◊ |
[C8Y]A:301 |
x-1,y,z |
1_455 |
3 |
1 |
376 |
15.2 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
A |
4 |
3 |
11507 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
11119 |
12.9 |
-0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
2 |
1 |
188 |
9.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.007 |
| 29 |
35 |
|
[CL]B:305 |
1 |
1 |
125 |
◊ |
[SO4]A:302 |
x,y,z |
1_555 |
1 |
1 |
187 |
3.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[ACT]B:306 |
1 |
1 |
183 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11119 |
1.3 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[CL]B:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11507 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|