| ## |
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 |
60 |
16 |
11857 |
◊ |
B |
-x,-y,z |
2_555 |
60 |
16 |
11857 |
550.9 |
-0.8 |
0.697 |
10 |
10 |
0 |
0.035 |
2 |
|
A |
58 |
15 |
11484 |
◊ |
A |
-x,-y,z |
2_555 |
58 |
15 |
11484 |
520.6 |
-0.1 |
0.832 |
10 |
10 |
0 |
0.035 |
| Average: |
535.8 |
-0.5 |
0.765 |
10 |
10 |
0 |
0.035 |
| 2 |
3 |
|
B |
34 |
11 |
11857 |
◊ |
A |
x,y,z-1 |
1_554 |
32 |
11 |
11484 |
320.4 |
-1.6 |
0.570 |
3 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
35 |
9 |
11484 |
◊ |
A |
-x,-y-1,z |
2_545 |
36 |
10 |
11484 |
300.6 |
-6.6 |
0.135 |
0 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
22 |
8 |
11857 |
◊ |
B |
-x,-y-1,z |
2_545 |
22 |
8 |
11857 |
273.0 |
-3.8 |
0.171 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
22 |
6 |
11857 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
18 |
5 |
11857 |
191.6 |
2.1 |
0.692 |
5 |
3 |
0 |
0.000 |
| 6 |
7 |
|
[MPD]B:401 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
37 |
16 |
11857 |
188.5 |
-13.0 |
0.579 |
2 |
0 |
0 |
0.126 |
| 7 |
8 |
|
[MPD]B:403 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
37 |
15 |
11857 |
186.8 |
-14.0 |
0.504 |
1 |
0 |
0 |
0.130 |
| 8 |
9 |
|
[MPD]A:401 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
36 |
16 |
11484 |
186.5 |
-12.8 |
0.605 |
1 |
0 |
0 |
0.153 |
| 9 |
10 |
|
[MPD]A:403 |
7 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
31 |
12 |
11484 |
181.5 |
-13.8 |
0.555 |
1 |
0 |
0 |
0.165 |
| 10 |
11 |
|
[MPD]A:402 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
26 |
14 |
11484 |
179.5 |
-12.8 |
0.597 |
2 |
0 |
0 |
0.158 |
| 11 |
12 |
|
[MPD]B:402 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
27 |
15 |
11857 |
178.8 |
-12.7 |
0.526 |
2 |
0 |
0 |
0.123 |
| 12 |
13 |
|
A |
16 |
5 |
11484 |
x |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
13 |
4 |
11484 |
163.4 |
1.1 |
0.794 |
6 |
4 |
0 |
0.000 |
| 13 |
14 |
|
[SO4]B:274 |
5 |
1 |
186 |
f |
B |
-x,-y,z |
2_555 |
16 |
6 |
11857 |
86.2 |
-11.8 |
0.585 |
0 |
0 |
0 |
0.107 |
| 14 |
15 |
|
[SO4]B:277 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
11857 |
83.6 |
-12.4 |
0.574 |
0 |
0 |
0 |
0.112 |
| 15 |
16 |
|
[SO4]A:274 |
5 |
1 |
187 |
f |
A |
-x,-y,z |
2_555 |
13 |
6 |
11484 |
81.9 |
-11.3 |
0.588 |
0 |
0 |
0 |
0.131 |
| 16 |
17 |
|
[SO4]B:276 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11857 |
79.0 |
-11.0 |
0.716 |
0 |
0 |
0 |
0.099 |
| 17 |
18 |
|
[SO4]A:275 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
11484 |
76.7 |
-10.4 |
0.753 |
0 |
0 |
0 |
0.120 |
| 18 |
19 |
|
[SO4]B:278 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
11857 |
74.7 |
-10.1 |
0.735 |
0 |
0 |
0 |
0.091 |
| 19 |
20 |
|
[SO4]B:274 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
11857 |
66.8 |
-8.5 |
0.823 |
1 |
0 |
0 |
0.081 |
| 20 |
21 |
|
[SO4]A:274 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11484 |
64.6 |
-8.0 |
0.832 |
1 |
0 |
0 |
0.097 |
| 21 |
22 |
|
[SO4]A:276 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11484 |
59.3 |
-8.7 |
0.599 |
1 |
0 |
0 |
0.106 |
| 22 |
23 |
|
[SO4]B:275 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
11857 |
56.9 |
-8.3 |
0.523 |
0 |
0 |
0 |
0.075 |
| 23 |
24 |
|
B |
3 |
1 |
11857 |
x |
B |
-x+1/2,y-1/2,-z |
3_545 |
4 |
1 |
11857 |
43.9 |
1.1 |
0.898 |
2 |
4 |
0 |
0.000 |
| 24 |
25 |
|
A |
4 |
1 |
11484 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
3 |
1 |
11857 |
36.6 |
1.1 |
0.855 |
1 |
3 |
0 |
0.000 |
| 25 |
26 |
|
A |
3 |
1 |
11484 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
11857 |
31.0 |
1.3 |
0.938 |
1 |
2 |
0 |
0.000 |
| 26 |
27 |
|
[MPD]A:402 |
1 |
1 |
280 |
f |
[MPD]A:401 |
x,y,z |
1_555 |
2 |
1 |
277 |
30.8 |
-3.0 |
0.836 |
0 |
0 |
0 |
0.034 |
| 27 |
28 |
|
[MPD]B:402 |
1 |
1 |
278 |
f |
[MPD]B:401 |
x,y,z |
1_555 |
2 |
1 |
279 |
30.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.026 |
| 28 |
29 |
|
B |
3 |
3 |
11857 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
11484 |
3.1 |
-0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
|