| ## |
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 |
176 |
48 |
15233 |
◊ |
A |
x,y,z |
1_555 |
176 |
48 |
15395 |
1668.8 |
-20.7 |
0.079 |
19 |
0 |
0 |
0.211 |
| 2 |
2 |
|
[NAJ]A:377 |
42 |
1 |
859 |
f |
A |
x,y,z |
1_555 |
77 |
36 |
15395 |
603.0 |
-8.2 |
0.414 |
13 |
0 |
0 |
0.220 |
3 |
|
[NAJ]B:377 |
42 |
1 |
855 |
f |
B |
x,y,z |
1_555 |
72 |
36 |
15233 |
598.0 |
-10.6 |
0.201 |
13 |
0 |
0 |
0.220 |
| Average: |
600.5 |
-9.4 |
0.308 |
13 |
0 |
0 |
0.220 |
| 3 |
4 |
|
A |
45 |
12 |
15395 |
◊ |
B |
x-1,y-1,z |
1_445 |
45 |
13 |
15233 |
407.8 |
3.5 |
0.904 |
6 |
4 |
0 |
0.000 |
| 4 |
5 |
|
B |
27 |
11 |
15233 |
◊ |
A |
x,y,z-1 |
1_554 |
29 |
13 |
15395 |
215.9 |
3.4 |
0.911 |
3 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
22 |
7 |
15233 |
◊ |
A |
x-1,y,z-1 |
1_454 |
20 |
5 |
15395 |
147.4 |
1.3 |
0.731 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
[MRD]A:381 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15395 |
124.5 |
2.4 |
0.508 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
15 |
5 |
15395 |
x |
A |
x-1,y,z |
1_455 |
12 |
6 |
15395 |
124.4 |
-0.5 |
0.585 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
17 |
9 |
15233 |
x |
B |
x-1,y,z |
1_455 |
12 |
5 |
15233 |
109.0 |
1.0 |
0.772 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[ETF]B:378 |
6 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
15233 |
98.9 |
1.2 |
0.174 |
4 |
0 |
0 |
0.007 |
11 |
|
[ETF]A:378 |
6 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
15395 |
97.1 |
1.3 |
0.206 |
4 |
0 |
0 |
0.007 |
| Average: |
98.0 |
1.3 |
0.190 |
4 |
0 |
0 |
0.007 |
| 10 |
12 |
|
[MRD]B:379 |
7 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
15233 |
92.7 |
0.5 |
0.319 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[MRD]A:380 |
6 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
15395 |
92.5 |
0.8 |
0.366 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[MRD]A:380 |
5 |
1 |
278 |
◊ |
B |
x-1,y-1,z |
1_445 |
14 |
4 |
15233 |
88.3 |
1.4 |
0.485 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[MRD]A:379 |
5 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15395 |
78.1 |
0.0 |
0.304 |
3 |
0 |
0 |
0.009 |
| 14 |
16 |
|
[MRD]A:379 |
3 |
1 |
275 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
15395 |
54.5 |
1.1 |
0.468 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[ETF]A:378 |
6 |
1 |
206 |
f |
[NAJ]A:377 |
x,y,z |
1_555 |
11 |
1 |
859 |
48.0 |
0.0 |
0.051 |
0 |
0 |
0 |
0.000 |
18 |
|
[ETF]B:378 |
6 |
1 |
207 |
f |
[NAJ]B:377 |
x,y,z |
1_555 |
11 |
1 |
855 |
47.6 |
0.1 |
0.045 |
0 |
0 |
0 |
0.000 |
| Average: |
47.8 |
0.1 |
0.048 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[ZN]B:375 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
15233 |
31.0 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.335 |
20 |
|
[ZN]A:375 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
15395 |
30.6 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.335 |
| Average: |
30.8 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.335 |
| 17 |
21 |
|
[NAJ]B:377 |
3 |
1 |
855 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15395 |
26.3 |
-0.1 |
0.382 |
0 |
0 |
0 |
0.001 |
22 |
|
[NAJ]A:377 |
3 |
1 |
859 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15233 |
25.4 |
-0.1 |
0.397 |
0 |
0 |
0 |
0.001 |
| Average: |
25.8 |
-0.1 |
0.390 |
0 |
0 |
0 |
0.001 |
| 18 |
23 |
|
A |
3 |
1 |
15395 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
15233 |
26.1 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[ETF]A:378 |
2 |
1 |
206 |
f |
[ZN]A:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.124 |
25 |
|
[ETF]B:378 |
2 |
1 |
207 |
f |
[ZN]B:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.124 |
| Average: |
21.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.124 |
| 20 |
26 |
|
[NAJ]A:377 |
3 |
1 |
859 |
f |
[ZN]A:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.107 |
27 |
|
[NAJ]B:377 |
3 |
1 |
855 |
f |
[ZN]B:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
20.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.107 |
| 21 |
28 |
|
B |
2 |
1 |
15233 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
3 |
1 |
15395 |
13.0 |
0.3 |
0.773 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[ETF]B:378 |
1 |
1 |
207 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15395 |
5.1 |
0.0 |
0.221 |
0 |
0 |
0 |
0.000 |
30 |
|
[ETF]A:378 |
1 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15233 |
4.3 |
0.0 |
0.230 |
0 |
0 |
0 |
0.000 |
| Average: |
4.7 |
0.0 |
0.226 |
0 |
0 |
0 |
0.000 |
|