| ## |
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 |
|
C |
47 |
9 |
1585 |
◊ |
A |
x,y,z |
1_555 |
62 |
17 |
5312 |
506.7 |
-9.0 |
0.221 |
2 |
0 |
0 |
0.734 |
2 |
|
D |
43 |
8 |
1572 |
◊ |
B |
x,y,z |
1_555 |
59 |
17 |
5379 |
502.1 |
-9.1 |
0.182 |
2 |
0 |
0 |
0.734 |
| Average: |
504.4 |
-9.1 |
0.201 |
2 |
0 |
0 |
0.734 |
| 2 |
3 |
|
A |
26 |
11 |
5312 |
x |
A |
-x,y-1/2,-z |
2_545 |
31 |
8 |
5312 |
266.8 |
-0.7 |
0.665 |
6 |
5 |
0 |
0.000 |
4 |
|
B |
32 |
8 |
5379 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
10 |
5379 |
263.3 |
-0.3 |
0.677 |
7 |
5 |
0 |
0.000 |
| Average: |
265.0 |
-0.5 |
0.671 |
7 |
5 |
0 |
0.000 |
| 3 |
5 |
|
B |
23 |
6 |
5379 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
22 |
8 |
5312 |
244.8 |
-2.3 |
0.414 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
22 |
6 |
5379 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
5312 |
238.3 |
-0.5 |
0.555 |
7 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[0EH]C:20 |
11 |
1 |
386 |
cf |
C |
x,y,z |
1_555 |
20 |
6 |
1585 |
169.5 |
-1.4 |
0.814 |
3 |
0 |
0 |
0.199 |
8 |
|
[0EH]D:20 |
11 |
1 |
382 |
cf |
D |
x,y,z |
1_555 |
20 |
6 |
1572 |
167.7 |
-1.4 |
0.823 |
3 |
0 |
0 |
0.199 |
| Average: |
168.6 |
-1.4 |
0.818 |
3 |
0 |
0 |
0.199 |
| 6 |
9 |
|
B |
17 |
6 |
5379 |
◊ |
D |
x,y-1,z |
1_545 |
14 |
4 |
1572 |
159.7 |
-1.8 |
0.401 |
1 |
0 |
0 |
0.000 |
10 |
|
C |
14 |
4 |
1585 |
◊ |
A |
x,y-1,z |
1_545 |
17 |
6 |
5312 |
142.1 |
-1.4 |
0.496 |
0 |
0 |
0 |
0.000 |
| Average: |
150.9 |
-1.6 |
0.448 |
1 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[0EH]C:20 |
9 |
1 |
386 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
5312 |
104.5 |
-1.2 |
0.663 |
0 |
0 |
0 |
0.087 |
12 |
|
[0EH]D:20 |
9 |
1 |
382 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
5379 |
104.2 |
-1.0 |
0.649 |
0 |
0 |
0 |
0.087 |
| Average: |
104.4 |
-1.1 |
0.656 |
0 |
0 |
0 |
0.087 |
| 8 |
13 |
|
C |
8 |
3 |
1585 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
5379 |
88.1 |
0.5 |
0.729 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
8 |
3 |
1572 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
5312 |
86.9 |
0.4 |
0.738 |
1 |
0 |
0 |
0.000 |
| Average: |
87.5 |
0.5 |
0.733 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[0EH]D:20 |
5 |
1 |
382 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
5312 |
51.1 |
-1.1 |
0.525 |
0 |
0 |
0 |
0.000 |
16 |
|
[0EH]C:20 |
5 |
1 |
386 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
5379 |
50.7 |
-1.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| Average: |
50.9 |
-1.1 |
0.512 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[NH2]D:30 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
1572 |
50.0 |
0.1 |
0.714 |
0 |
0 |
0 |
0.000 |
18 |
|
[NH2]C:30 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
1585 |
49.5 |
0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
| Average: |
49.7 |
0.1 |
0.723 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
B |
5 |
2 |
5379 |
◊ |
[NH2]D:30 |
x,y-1,z |
1_545 |
1 |
1 |
117 |
34.5 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
20 |
|
[NH2]C:30 |
1 |
1 |
117 |
◊ |
A |
x,y-1,z |
1_545 |
6 |
2 |
5312 |
29.3 |
-0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
| Average: |
31.9 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
| 12 |
21 |
|
A |
5 |
2 |
5312 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
5379 |
27.5 |
-0.7 |
0.381 |
0 |
0 |
0 |
0.000 |
| 13 |
22 |
|
B |
1 |
1 |
5379 |
x |
B |
x,y-1,z |
1_545 |
2 |
1 |
5379 |
3.0 |
-0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
1 |
1 |
5312 |
x |
A |
x,y-1,z |
1_545 |
2 |
1 |
5312 |
2.9 |
0.1 |
0.751 |
0 |
0 |
0 |
0.000 |
| Average: |
2.9 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
|