| ## |
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 |
|
D |
166 |
41 |
6798 |
◊ |
C |
x,y,z |
1_555 |
177 |
42 |
6683 |
1692.8 |
-19.5 |
0.255 |
31 |
8 |
0 |
0.779 |
2 |
|
B |
173 |
42 |
6842 |
◊ |
A |
x,y,z |
1_555 |
176 |
42 |
6723 |
1683.4 |
-19.2 |
0.292 |
31 |
4 |
0 |
0.779 |
| Average: |
1688.1 |
-19.4 |
0.273 |
31 |
6 |
0 |
0.779 |
| 2 |
3 |
|
B |
47 |
12 |
6842 |
◊ |
A |
x-1,y,z |
1_455 |
49 |
14 |
6723 |
437.9 |
-4.9 |
0.452 |
2 |
0 |
0 |
0.000 |
4 |
|
C |
48 |
13 |
6683 |
◊ |
D |
x-1,y,z |
1_455 |
44 |
13 |
6798 |
428.9 |
-4.8 |
0.436 |
1 |
0 |
0 |
0.000 |
| Average: |
433.4 |
-4.9 |
0.444 |
2 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[ROC]A:101 |
37 |
1 |
897 |
◊ |
B |
x,y,z |
1_555 |
42 |
16 |
6842 |
412.6 |
-4.0 |
0.271 |
1 |
0 |
0 |
0.104 |
6 |
|
[ROC]C:101 |
37 |
1 |
891 |
◊ |
D |
x,y,z |
1_555 |
50 |
17 |
6798 |
394.4 |
-4.2 |
0.267 |
1 |
0 |
0 |
0.104 |
| Average: |
403.5 |
-4.1 |
0.269 |
1 |
0 |
0 |
0.104 |
| 4 |
7 |
|
[ROC]A:101 |
35 |
1 |
897 |
f |
A |
x,y,z |
1_555 |
47 |
15 |
6723 |
384.9 |
-1.6 |
0.440 |
8 |
0 |
0 |
0.119 |
8 |
|
[ROC]C:101 |
37 |
1 |
891 |
f |
C |
x,y,z |
1_555 |
46 |
16 |
6683 |
384.8 |
-1.7 |
0.459 |
8 |
0 |
0 |
0.119 |
| Average: |
384.8 |
-1.6 |
0.450 |
8 |
0 |
0 |
0.119 |
| 5 |
9 |
|
D |
35 |
8 |
6798 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
6723 |
318.3 |
-3.1 |
0.461 |
4 |
0 |
0 |
0.005 |
| 6 |
10 |
|
A |
32 |
7 |
6723 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
34 |
9 |
6842 |
292.8 |
-4.4 |
0.359 |
1 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
35 |
9 |
6798 |
◊ |
C |
-x+1,y-1/2,-z+3 |
2_648 |
31 |
7 |
6683 |
284.6 |
-4.3 |
0.375 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
B |
37 |
11 |
6842 |
◊ |
D |
x-1,y,z-1 |
1_454 |
30 |
9 |
6798 |
261.0 |
-3.1 |
0.475 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
C |
26 |
7 |
6683 |
◊ |
D |
-x+1,y-1/2,-z+3 |
2_648 |
31 |
11 |
6798 |
237.2 |
-1.6 |
0.590 |
2 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
29 |
8 |
6842 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
20 |
4 |
6723 |
197.3 |
-2.3 |
0.507 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
C |
18 |
6 |
6683 |
◊ |
B |
x,y,z |
1_555 |
17 |
3 |
6842 |
159.7 |
-1.9 |
0.481 |
1 |
1 |
0 |
0.003 |
| 12 |
16 |
|
B |
12 |
4 |
6842 |
◊ |
C |
x,y,z-1 |
1_554 |
16 |
5 |
6683 |
157.6 |
-3.3 |
0.122 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
A |
17 |
4 |
6723 |
◊ |
D |
x,y,z-1 |
1_554 |
14 |
2 |
6798 |
130.0 |
-0.4 |
0.624 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
B |
17 |
6 |
6842 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
5 |
6798 |
114.4 |
-2.2 |
0.409 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
D |
12 |
3 |
6798 |
◊ |
A |
-x+1,y-1/2,-z+3 |
2_648 |
15 |
5 |
6723 |
106.9 |
0.9 |
0.762 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
D |
12 |
5 |
6798 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
6842 |
69.8 |
-1.6 |
0.225 |
0 |
0 |
0 |
0.002 |
| 17 |
21 |
|
D |
10 |
5 |
6798 |
x |
D |
-x+1,y-1/2,-z+3 |
2_648 |
8 |
4 |
6798 |
68.7 |
-0.7 |
0.517 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
A |
8 |
4 |
6723 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
3 |
6723 |
53.3 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
D |
11 |
4 |
6798 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
5 |
2 |
6842 |
52.3 |
0.4 |
0.754 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
C |
6 |
3 |
6683 |
x |
C |
-x,y-1/2,-z+3 |
2_548 |
6 |
4 |
6683 |
48.0 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
C |
7 |
1 |
6683 |
◊ |
[ROC]C:101 |
-x+1,y-1/2,-z+3 |
2_648 |
2 |
1 |
891 |
38.3 |
0.7 |
0.638 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
C |
2 |
1 |
6683 |
x |
C |
-x+1,y-1/2,-z+3 |
2_648 |
2 |
1 |
6683 |
34.5 |
-1.1 |
0.136 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
A |
7 |
5 |
6723 |
x |
A |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
6723 |
33.5 |
-0.4 |
0.545 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[ROC]A:101 |
2 |
1 |
897 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
7 |
1 |
6723 |
32.5 |
0.9 |
0.748 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
B |
2 |
1 |
6842 |
x |
B |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
6842 |
18.0 |
-0.6 |
0.237 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[ROC]C:101 |
2 |
1 |
891 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
6842 |
16.6 |
-0.5 |
0.428 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
C |
1 |
1 |
6683 |
◊ |
A |
-x,y-1/2,-z+3 |
2_548 |
3 |
1 |
6723 |
8.6 |
-0.1 |
0.458 |
0 |
0 |
0 |
0.000 |
|