| ## |
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 |
69 |
18 |
6451 |
◊ |
A |
x,y,z |
1_555 |
65 |
18 |
6376 |
582.7 |
-8.8 |
0.128 |
4 |
5 |
0 |
0.237 |
2 |
|
C |
60 |
16 |
6459 |
◊ |
B |
x,y,z |
1_555 |
63 |
18 |
6451 |
580.4 |
-8.7 |
0.123 |
4 |
5 |
0 |
0.237 |
3 |
|
C |
60 |
17 |
6459 |
◊ |
A |
x,y,z |
1_555 |
60 |
15 |
6376 |
571.2 |
-8.2 |
0.128 |
4 |
5 |
0 |
0.237 |
| Average: |
578.1 |
-8.5 |
0.127 |
4 |
5 |
0 |
0.237 |
| 2 |
4 |
|
[HEC]C:201 |
43 |
1 |
821 |
cf |
C |
x,y,z |
1_555 |
72 |
20 |
6459 |
556.6 |
-19.6 |
0.280 |
0 |
0 |
0 |
0.391 |
5 |
|
[HEC]A:201 |
42 |
1 |
810 |
cf |
A |
x,y,z |
1_555 |
68 |
22 |
6376 |
483.0 |
-17.5 |
0.252 |
0 |
0 |
0 |
0.391 |
6 |
|
[HEC]B:201 |
43 |
1 |
813 |
cf |
B |
x,y,z |
1_555 |
70 |
20 |
6451 |
478.7 |
-17.4 |
0.285 |
0 |
0 |
0 |
0.391 |
| Average: |
506.1 |
-18.2 |
0.272 |
0 |
0 |
0 |
0.391 |
| 3 |
7 |
|
B |
57 |
13 |
6451 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
57 |
13 |
6376 |
498.4 |
10.1 |
0.994 |
20 |
10 |
0 |
0.003 |
| 4 |
8 |
|
C |
15 |
4 |
6459 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
15 |
5 |
6376 |
167.9 |
3.2 |
0.914 |
6 |
4 |
0 |
0.000 |
| 5 |
9 |
|
B |
20 |
7 |
6451 |
x |
B |
x-1,y,z |
1_455 |
16 |
5 |
6451 |
158.6 |
-1.1 |
0.500 |
2 |
1 |
0 |
0.000 |
| 6 |
10 |
|
[MPD]B:203 |
7 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
6451 |
156.3 |
-9.9 |
0.663 |
0 |
0 |
0 |
0.111 |
| 7 |
11 |
|
C |
20 |
9 |
6459 |
x |
C |
x-1,y,z |
1_455 |
12 |
4 |
6459 |
135.8 |
-0.3 |
0.576 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
C |
16 |
5 |
6459 |
◊ |
B |
x,y,z-1 |
1_554 |
15 |
5 |
6451 |
101.8 |
2.5 |
0.873 |
2 |
4 |
0 |
0.000 |
| 9 |
13 |
|
A |
12 |
5 |
6376 |
x |
A |
x-1,y,z |
1_455 |
15 |
4 |
6376 |
98.2 |
0.6 |
0.702 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
16 |
6 |
6451 |
◊ |
[MPD]A:202 |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
276 |
92.5 |
-4.3 |
0.875 |
1 |
0 |
0 |
0.053 |
| 11 |
15 |
|
[MPD]A:203 |
7 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
6376 |
88.0 |
-4.1 |
0.879 |
1 |
0 |
0 |
0.051 |
| 12 |
16 |
|
B |
7 |
3 |
6451 |
◊ |
[HEC]A:201 |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
1 |
810 |
67.4 |
-1.7 |
0.750 |
2 |
0 |
0 |
0.058 |
17 |
|
[HEC]B:201 |
8 |
1 |
813 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
6376 |
66.1 |
-1.6 |
0.756 |
2 |
0 |
0 |
0.058 |
| Average: |
66.8 |
-1.7 |
0.753 |
2 |
0 |
0 |
0.058 |
| 13 |
18 |
|
[MPD]A:202 |
6 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
6376 |
63.4 |
-2.8 |
0.847 |
0 |
0 |
0 |
0.031 |
| 14 |
19 |
|
B |
15 |
3 |
6451 |
◊ |
[MPD]A:203 |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
274 |
61.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| 15 |
20 |
|
[MPD]A:203 |
5 |
1 |
274 |
f |
[HEC]A:201 |
x,y,z |
1_555 |
16 |
1 |
810 |
56.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.037 |
| 16 |
21 |
|
[HEC]B:201 |
15 |
1 |
813 |
◊ |
[MPD]A:202 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
276 |
55.9 |
-3.3 |
0.999 |
0 |
0 |
0 |
0.037 |
| 17 |
22 |
|
[MPD]B:203 |
3 |
1 |
276 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6459 |
55.8 |
-2.7 |
0.806 |
0 |
0 |
0 |
0.019 |
| 18 |
23 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
6451 |
53.2 |
-7.0 |
0.779 |
2 |
0 |
0 |
0.088 |
| 19 |
24 |
|
[SO4]B:202 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
6459 |
52.8 |
-6.9 |
0.799 |
2 |
0 |
0 |
0.055 |
| 20 |
25 |
|
[SO4]B:202 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6376 |
52.1 |
-6.5 |
0.832 |
2 |
0 |
0 |
0.052 |
| 21 |
26 |
|
[HEC]B:201 |
13 |
1 |
813 |
◊ |
[MPD]A:203 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
274 |
39.7 |
-2.4 |
0.857 |
0 |
0 |
0 |
0.026 |
| 22 |
27 |
|
[MPD]A:202 |
3 |
1 |
276 |
f |
[HEC]A:201 |
x,y,z |
1_555 |
12 |
1 |
810 |
37.4 |
-2.1 |
0.981 |
0 |
0 |
0 |
0.023 |
| 23 |
28 |
|
[HEC]B:201 |
4 |
1 |
813 |
◊ |
[HEC]A:201 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
810 |
34.2 |
-1.1 |
0.811 |
0 |
0 |
0 |
0.012 |
| 24 |
29 |
|
[MPD]A:203 |
3 |
1 |
274 |
f |
[MPD]A:202 |
x,y,z |
1_555 |
3 |
1 |
276 |
28.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| 25 |
30 |
|
[MPD]B:203 |
1 |
1 |
276 |
f |
[HEC]B:201 |
x,y,z |
1_555 |
3 |
1 |
813 |
21.7 |
-1.4 |
0.832 |
0 |
0 |
0 |
0.016 |
| 26 |
31 |
|
C |
3 |
1 |
6459 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
6376 |
21.5 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
B |
4 |
2 |
6451 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
6376 |
14.2 |
0.5 |
0.785 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[HEC]C:201 |
3 |
1 |
821 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
6376 |
5.8 |
-0.2 |
0.844 |
0 |
0 |
0 |
0.000 |
|