| ## |
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 |
|
A |
51 |
14 |
4290 |
◊ |
A |
x-y+1,-y+2,-z |
8_675 |
51 |
14 |
4290 |
493.3 |
-6.1 |
0.321 |
0 |
0 |
0 |
0.022 |
| 2 |
2 |
|
B |
52 |
12 |
4230 |
◊ |
B |
x,x-y+1,-z+5/6 |
12_565 |
52 |
12 |
4230 |
446.1 |
-8.5 |
0.170 |
0 |
0 |
0 |
0.010 |
| 3 |
3 |
|
B |
34 |
10 |
4230 |
◊ |
B |
-x+y,y,-z+1/2 |
11_555 |
33 |
10 |
4230 |
306.8 |
-5.9 |
0.187 |
0 |
0 |
0 |
0.059 |
| 4 |
4 |
|
B |
30 |
9 |
4230 |
◊ |
B |
-y+1,-x+1,-z+1/6 |
10_665 |
29 |
9 |
4230 |
262.7 |
3.2 |
0.895 |
8 |
10 |
0 |
0.020 |
5 |
|
A |
28 |
8 |
4290 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
28 |
8 |
4290 |
255.2 |
3.4 |
0.913 |
8 |
8 |
0 |
0.020 |
| Average: |
258.9 |
3.3 |
0.904 |
8 |
9 |
0 |
0.020 |
| 5 |
6 |
|
B |
23 |
8 |
4230 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
4290 |
183.2 |
2.6 |
0.887 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
B |
24 |
8 |
4230 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
24 |
8 |
4290 |
176.4 |
-1.8 |
0.377 |
8 |
0 |
0 |
0.043 |
| 7 |
8 |
|
A |
13 |
4 |
4290 |
◊ |
B |
x-y+1,x+1,z-1/6 |
6_664 |
17 |
7 |
4230 |
128.0 |
-1.3 |
0.458 |
0 |
0 |
0 |
0.012 |
| 8 |
9 |
|
[IMD]A:204 |
5 |
1 |
198 |
◊ |
B |
-y+1,-x+1,-z+1/6 |
10_665 |
21 |
5 |
4230 |
85.4 |
1.7 |
0.300 |
2 |
0 |
0 |
0.000 |
10 |
|
[IMD]A:207 |
5 |
1 |
197 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
22 |
5 |
4290 |
79.3 |
1.6 |
0.236 |
1 |
0 |
0 |
0.000 |
| Average: |
82.3 |
1.6 |
0.268 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[ZN]A:203 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
4290 |
48.5 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.384 |
| 10 |
12 |
|
[IMD]A:207 |
5 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
4230 |
44.9 |
0.7 |
0.071 |
1 |
0 |
0 |
0.000 |
13 |
|
[IMD]A:204 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
4290 |
40.2 |
0.6 |
0.072 |
1 |
0 |
0 |
0.000 |
| Average: |
42.6 |
0.7 |
0.072 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[ZN]B:202 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
4230 |
36.9 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.395 |
15 |
|
[ZN]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
4290 |
33.6 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.395 |
| Average: |
35.2 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.395 |
| 12 |
16 |
|
[IMD]A:207 |
2 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4290 |
28.9 |
1.0 |
0.356 |
0 |
0 |
0 |
0.000 |
17 |
|
[IMD]A:204 |
2 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4230 |
28.8 |
1.0 |
0.358 |
0 |
0 |
0 |
0.000 |
| Average: |
28.9 |
1.0 |
0.357 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[ZN]A:203 |
1 |
1 |
98 |
◊ |
B |
x-y+1,x+1,z-1/6 |
6_664 |
2 |
2 |
4230 |
28.7 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.117 |
| 14 |
19 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
B |
-y+1,-x+1,-z+1/6 |
10_665 |
7 |
3 |
4230 |
27.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.181 |
20 |
|
[ZN]A:205 |
1 |
1 |
98 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
7 |
3 |
4290 |
26.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.181 |
| Average: |
26.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.181 |
| 15 |
21 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4230 |
24.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.138 |
22 |
|
[ZN]A:205 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4290 |
23.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.138 |
| Average: |
24.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.138 |
| 16 |
23 |
|
[ZN]A:201 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
4 |
2 |
4290 |
23.3 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.227 |
24 |
|
[ZN]A:205 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
4230 |
22.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.227 |
| Average: |
23.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.227 |
| 17 |
25 |
|
[IMD]A:207 |
2 |
1 |
197 |
f |
[ZN]A:205 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.205 |
26 |
|
[IMD]A:204 |
2 |
1 |
198 |
f |
[ZN]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.205 |
| Average: |
22.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.205 |
| 18 |
27 |
|
[ZN]B:202 |
1 |
1 |
98 |
◊ |
B |
-x+y,y,-z+1/2 |
11_555 |
3 |
1 |
4230 |
22.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.198 |
| 19 |
28 |
|
[ZN]B:202 |
1 |
1 |
98 |
◊ |
B |
-y+1,-x+1,-z+1/6 |
10_665 |
2 |
1 |
4230 |
18.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.159 |
29 |
|
[ZN]A:202 |
1 |
1 |
98 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
2 |
1 |
4290 |
16.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.159 |
| Average: |
17.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.159 |
| 20 |
30 |
|
[IMD]A:207 |
5 |
1 |
197 |
◊ |
[IMD]A:204 |
-y+1,-x+1,-z+1/6 |
10_665 |
5 |
1 |
198 |
17.5 |
1.0 |
0.005 |
0 |
0 |
0 |
0.000 |
|