| ## |
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 |
164 |
41 |
7413 |
◊ |
A |
x,y,z |
1_555 |
162 |
43 |
7762 |
1479.6 |
-16.2 |
0.145 |
16 |
8 |
0 |
0.183 |
| 2 |
2 |
|
A |
41 |
12 |
7762 |
x |
A |
-y,x-y,z-1/3 |
2_554 |
45 |
11 |
7762 |
397.8 |
-2.4 |
0.479 |
5 |
0 |
0 |
0.000 |
3 |
|
B |
31 |
9 |
7413 |
x |
B |
-y,x-y+1,z-1/3 |
2_564 |
37 |
12 |
7413 |
309.7 |
-2.6 |
0.442 |
2 |
0 |
0 |
0.000 |
| Average: |
353.8 |
-2.5 |
0.460 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
27 |
8 |
7762 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
21 |
5 |
7413 |
202.4 |
-0.1 |
0.582 |
4 |
2 |
0 |
0.000 |
5 |
|
A |
19 |
5 |
7762 |
◊ |
B |
-y,x-y+1,z-1/3 |
2_564 |
26 |
8 |
7413 |
197.5 |
-0.0 |
0.627 |
5 |
2 |
0 |
0.000 |
| Average: |
200.0 |
-0.1 |
0.604 |
5 |
2 |
0 |
0.000 |
| 4 |
6 |
|
[FMQ]A:1006 |
15 |
1 |
378 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
7762 |
181.9 |
3.1 |
0.453 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[FMQ]B:306 |
15 |
1 |
377 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
7413 |
171.2 |
3.2 |
0.474 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[FMQ]B:306 |
9 |
1 |
377 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
7762 |
122.4 |
1.4 |
0.402 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[FMQ]A:1006 |
7 |
1 |
378 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
7413 |
101.5 |
0.9 |
0.357 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[SO4]A:1004 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
7762 |
99.3 |
-13.9 |
0.833 |
4 |
0 |
0 |
0.117 |
| 9 |
11 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
7413 |
97.0 |
-12.3 |
0.929 |
4 |
0 |
0 |
0.105 |
| 10 |
12 |
|
[SO4]A:1005 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
7762 |
79.8 |
-11.4 |
0.826 |
3 |
0 |
0 |
0.095 |
| 11 |
13 |
|
[SO4]B:305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
7413 |
75.1 |
-10.4 |
0.875 |
3 |
0 |
0 |
0.088 |
| 12 |
14 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
7762 |
58.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.142 |
15 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
7413 |
58.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
58.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.142 |
| 13 |
16 |
|
[SO4]A:1005 |
4 |
1 |
186 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
3 |
2 |
7413 |
44.5 |
-4.0 |
0.967 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[CD]B:302 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
7413 |
42.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.073 |
18 |
|
[CD]A:1002 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7762 |
41.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
42.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.073 |
| 15 |
19 |
|
A |
3 |
2 |
7762 |
◊ |
[SO4]B:305 |
-y,x-y+1,z-1/3 |
2_564 |
4 |
1 |
185 |
41.0 |
-3.4 |
0.973 |
2 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[CD]B:301 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
7413 |
39.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.074 |
21 |
|
[CD]A:1001 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7762 |
38.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
38.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.074 |
| 17 |
22 |
|
A |
3 |
1 |
7762 |
◊ |
[CD]B:301 |
-y,x-y+1,z-1/3 |
2_564 |
1 |
1 |
112 |
30.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[CD]A:1001 |
1 |
1 |
112 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
3 |
1 |
7413 |
30.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
30.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[FMQ]B:306 |
3 |
1 |
377 |
f |
B |
-y,x-y+1,z-1/3 |
2_564 |
5 |
3 |
7413 |
27.2 |
0.0 |
0.396 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[SO4]B:305 |
2 |
1 |
185 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
7762 |
26.2 |
-3.8 |
0.678 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[CD]B:302 |
x,y,z |
1_555 |
1 |
1 |
112 |
23.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.032 |
| 21 |
27 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
[CD]A:1002 |
x,y,z |
1_555 |
1 |
1 |
112 |
23.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.032 |
| 22 |
28 |
|
A |
5 |
3 |
7762 |
f |
[FMQ]A:1006 |
-y,x-y,z-1/3 |
2_554 |
2 |
1 |
378 |
20.5 |
-0.1 |
0.380 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[CD]A:1002 |
1 |
1 |
112 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
6 |
2 |
7413 |
18.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
6 |
2 |
7762 |
◊ |
[CD]B:302 |
-y,x-y+1,z-1/3 |
2_564 |
1 |
1 |
112 |
17.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
17.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
A |
1 |
1 |
7762 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
7413 |
13.9 |
0.6 |
0.857 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
1 |
1 |
7413 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
7762 |
10.8 |
0.5 |
0.831 |
0 |
0 |
0 |
0.000 |
| Average: |
12.4 |
0.6 |
0.844 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[CD]A:1002 |
1 |
1 |
112 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
13.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.016 |
| 26 |
34 |
|
[CD]B:302 |
1 |
1 |
112 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
12.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 27 |
35 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
| 28 |
36 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
| 29 |
37 |
|
[SO4]A:1005 |
1 |
1 |
186 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 30 |
38 |
|
[SO4]B:305 |
1 |
1 |
185 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
|