| ## |
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 |
76 |
23 |
5114 |
◊ |
C |
x,y,z |
1_555 |
79 |
21 |
5289 |
722.9 |
2.4 |
0.517 |
16 |
4 |
0 |
0.017 |
2 |
|
B |
71 |
24 |
5090 |
◊ |
A |
x,y,z |
1_555 |
72 |
19 |
5328 |
695.5 |
1.9 |
0.526 |
17 |
4 |
0 |
0.017 |
| Average: |
709.2 |
2.2 |
0.522 |
17 |
4 |
0 |
0.017 |
| 2 |
3 |
|
D |
55 |
14 |
5114 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
12 |
5328 |
413.2 |
0.2 |
0.435 |
8 |
3 |
0 |
0.000 |
4 |
|
C |
38 |
12 |
5289 |
◊ |
B |
x,y,z |
1_555 |
54 |
14 |
5090 |
403.2 |
0.1 |
0.432 |
8 |
3 |
0 |
0.000 |
| Average: |
408.2 |
0.2 |
0.434 |
8 |
3 |
0 |
0.000 |
| 3 |
5 |
|
A |
37 |
14 |
5328 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
37 |
4 |
1500 |
349.7 |
-4.0 |
0.544 |
11 |
0 |
0 |
0.293 |
6 |
|
C |
35 |
13 |
5289 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
36 |
4 |
1496 |
347.9 |
-3.5 |
0.589 |
11 |
0 |
0 |
0.293 |
| Average: |
348.8 |
-3.7 |
0.566 |
11 |
0 |
0 |
0.293 |
| 4 |
7 |
|
E |
28 |
3 |
1500 |
◊ |
A |
x,y,z |
1_555 |
30 |
12 |
5328 |
283.2 |
-1.7 |
0.687 |
12 |
0 |
0 |
0.025 |
8 |
|
G |
28 |
3 |
1496 |
◊ |
C |
x,y,z |
1_555 |
32 |
12 |
5289 |
278.0 |
-1.6 |
0.647 |
10 |
0 |
0 |
0.025 |
| Average: |
280.6 |
-1.7 |
0.667 |
11 |
0 |
0 |
0.025 |
| 5 |
9 |
|
B |
10 |
2 |
5090 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
5090 |
113.8 |
0.8 |
0.612 |
3 |
0 |
0 |
0.000 |
10 |
|
D |
10 |
2 |
5114 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
12 |
5 |
5114 |
113.4 |
0.8 |
0.607 |
3 |
0 |
0 |
0.000 |
| Average: |
113.6 |
0.8 |
0.610 |
3 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
14 |
5 |
5289 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
14 |
5 |
5328 |
101.6 |
1.3 |
0.642 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
12 |
5 |
5328 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
5289 |
85.1 |
0.9 |
0.586 |
0 |
0 |
0 |
0.000 |
| Average: |
93.3 |
1.1 |
0.614 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
C |
5 |
3 |
5289 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
5 |
5328 |
60.0 |
0.3 |
0.572 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
9 |
5 |
5289 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
5328 |
47.5 |
-0.1 |
0.498 |
0 |
0 |
0 |
0.000 |
| Average: |
53.8 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
| 8 |
15 |
|
A |
2 |
1 |
5328 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
5090 |
46.1 |
1.4 |
0.844 |
2 |
2 |
0 |
0.000 |
16 |
|
C |
3 |
1 |
5289 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
5114 |
45.8 |
1.4 |
0.827 |
2 |
2 |
0 |
0.000 |
| Average: |
45.9 |
1.4 |
0.835 |
2 |
2 |
0 |
0.000 |
| 9 |
17 |
|
G |
5 |
3 |
1496 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
2 |
5114 |
37.4 |
-1.3 |
0.499 |
0 |
0 |
0 |
0.000 |
18 |
|
E |
4 |
2 |
1500 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
5090 |
24.6 |
-0.7 |
0.553 |
0 |
0 |
0 |
0.000 |
| Average: |
31.0 |
-1.0 |
0.526 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
D |
4 |
2 |
5114 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
5090 |
30.0 |
1.1 |
0.770 |
1 |
2 |
0 |
0.000 |
20 |
|
D |
3 |
2 |
5114 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
5090 |
20.5 |
0.7 |
0.757 |
0 |
0 |
0 |
0.000 |
| Average: |
25.3 |
0.9 |
0.764 |
1 |
1 |
0 |
0.000 |
| 11 |
21 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
1500 |
18.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.258 |
22 |
|
[ZN]C:303 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
1496 |
18.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.258 |
| Average: |
18.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.258 |
| 12 |
23 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
E |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
1500 |
18.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.250 |
24 |
|
[ZN]C:304 |
1 |
1 |
98 |
f |
G |
-x,y-1/2,-z |
2_545 |
2 |
1 |
1496 |
17.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.250 |
| Average: |
17.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.250 |
| 13 |
25 |
|
[ZN]B:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
5328 |
13.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.209 |
26 |
|
[ZN]D:304 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
5289 |
13.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.209 |
| Average: |
13.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.209 |
| 14 |
27 |
|
A |
2 |
2 |
5328 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
1496 |
11.4 |
-0.7 |
0.410 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
1 |
1 |
5289 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
1500 |
1.5 |
-0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
| Average: |
6.5 |
-0.4 |
0.427 |
0 |
0 |
0 |
0.000 |
| 15 |
29 |
|
G |
2 |
1 |
1496 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
1500 |
10.6 |
-0.6 |
0.466 |
0 |
0 |
0 |
0.000 |
30 |
|
G |
2 |
2 |
1496 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
1 |
1500 |
7.3 |
-0.4 |
0.426 |
0 |
0 |
0 |
0.000 |
| Average: |
9.0 |
-0.5 |
0.446 |
0 |
0 |
0 |
0.000 |
| 16 |
31 |
|
G |
2 |
1 |
1496 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
5090 |
9.1 |
-0.6 |
0.301 |
0 |
0 |
0 |
0.000 |
32 |
|
E |
2 |
1 |
1500 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
5114 |
9.0 |
-0.4 |
0.453 |
0 |
0 |
0 |
0.000 |
| Average: |
9.1 |
-0.5 |
0.377 |
0 |
0 |
0 |
0.000 |
| 17 |
33 |
|
A |
2 |
1 |
5328 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
5090 |
5.1 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
| 18 |
34 |
|
[ZN]A:304 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5090 |
3.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.003 |
35 |
|
[ZN]C:304 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5114 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
2.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
|