| ## |
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 |
173 |
47 |
15697 |
◊ |
A |
x,y,z |
1_555 |
176 |
47 |
15784 |
1657.9 |
-16.2 |
0.166 |
28 |
0 |
0 |
0.181 |
| 2 |
2 |
|
[COD]B:404 |
41 |
1 |
921 |
f |
B |
x,y,z |
1_555 |
79 |
37 |
15697 |
678.0 |
-15.6 |
0.318 |
11 |
0 |
0 |
0.255 |
3 |
|
[COD]A:403 |
41 |
1 |
916 |
f |
A |
x,y,z |
1_555 |
86 |
39 |
15784 |
668.8 |
-16.4 |
0.248 |
8 |
0 |
0 |
0.255 |
| Average: |
673.4 |
-16.0 |
0.283 |
10 |
0 |
0 |
0.255 |
| 3 |
4 |
|
A |
48 |
12 |
15784 |
◊ |
B |
x-1,y,z |
1_455 |
52 |
16 |
15697 |
456.3 |
4.5 |
0.928 |
7 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
37 |
11 |
15697 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
39 |
10 |
15784 |
285.0 |
0.5 |
0.737 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
18 |
7 |
15784 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
5 |
15784 |
176.2 |
0.5 |
0.699 |
1 |
2 |
0 |
0.000 |
7 |
|
B |
19 |
5 |
15697 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
19 |
7 |
15697 |
159.2 |
0.7 |
0.742 |
2 |
1 |
0 |
0.000 |
| Average: |
167.7 |
0.6 |
0.721 |
2 |
2 |
0 |
0.000 |
| 6 |
8 |
|
B |
18 |
6 |
15697 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
15784 |
128.4 |
0.3 |
0.702 |
1 |
2 |
0 |
0.000 |
| 7 |
9 |
|
A |
12 |
5 |
15784 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
5 |
15697 |
127.2 |
0.7 |
0.714 |
2 |
2 |
0 |
0.000 |
| 8 |
10 |
|
[MRD]B:401 |
6 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
15784 |
117.0 |
1.4 |
0.356 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[MRD]A:407 |
6 |
1 |
273 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
15697 |
114.9 |
1.0 |
0.375 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[MRD]A:404 |
7 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
15784 |
112.6 |
1.2 |
0.399 |
2 |
0 |
0 |
0.000 |
13 |
|
[MRD]B:405 |
7 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
15697 |
109.2 |
1.0 |
0.398 |
2 |
0 |
0 |
0.000 |
| Average: |
110.9 |
1.1 |
0.399 |
2 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[MPD]A:406 |
7 |
1 |
271 |
f |
[MRD]A:405 |
x,y,z |
1_555 |
7 |
1 |
273 |
102.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.020 |
| 12 |
15 |
|
[MRD]A:407 |
7 |
1 |
273 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
15784 |
97.9 |
-0.5 |
0.171 |
0 |
0 |
0 |
0.003 |
| 13 |
16 |
|
[MRD]B:401 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
15697 |
93.5 |
-1.2 |
0.135 |
0 |
0 |
0 |
0.008 |
| 14 |
17 |
|
[MPD]A:406 |
6 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
15784 |
81.3 |
-4.4 |
0.000 |
1 |
0 |
0 |
0.031 |
| 15 |
18 |
|
[MRD]A:405 |
5 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
15784 |
79.9 |
1.5 |
0.494 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[MPD]A:406 |
5 |
1 |
271 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
5 |
15697 |
75.6 |
-4.1 |
0.000 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[MRD]A:405 |
6 |
1 |
273 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
4 |
15697 |
74.5 |
2.1 |
0.509 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
B |
8 |
4 |
15697 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
15784 |
48.2 |
0.3 |
0.561 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
A |
7 |
2 |
15784 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
15697 |
42.9 |
-0.2 |
0.547 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
15784 |
36.8 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.342 |
24 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
15697 |
36.8 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.342 |
| Average: |
36.8 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.342 |
| 21 |
25 |
|
[COD]B:404 |
4 |
1 |
921 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15784 |
34.6 |
-1.0 |
0.282 |
0 |
0 |
0 |
0.013 |
26 |
|
[COD]A:403 |
4 |
1 |
916 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15697 |
33.4 |
-1.0 |
0.287 |
0 |
0 |
0 |
0.013 |
| Average: |
34.0 |
-1.0 |
0.285 |
0 |
0 |
0 |
0.013 |
| 22 |
27 |
|
[COD]B:404 |
2 |
1 |
921 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.168 |
28 |
|
[COD]A:403 |
2 |
1 |
916 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.168 |
| Average: |
29.9 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.168 |
| 23 |
29 |
|
[MRD]B:401 |
2 |
1 |
278 |
◊ |
[COD]A:403 |
x,y,z |
1_555 |
5 |
1 |
916 |
26.0 |
-0.3 |
0.440 |
1 |
0 |
0 |
0.005 |
| 24 |
30 |
|
[MRD]A:407 |
3 |
1 |
273 |
f |
[COD]B:404 |
x,y,z |
1_555 |
4 |
1 |
921 |
20.4 |
-0.0 |
0.445 |
1 |
0 |
0 |
0.003 |
| 25 |
31 |
|
B |
3 |
1 |
15697 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
15697 |
18.6 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
A |
3 |
2 |
15784 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
15784 |
8.5 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
|