| ## |
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 |
91 |
23 |
7719 |
◊ |
A |
x,y,z |
1_555 |
83 |
22 |
7578 |
876.1 |
-9.5 |
0.209 |
14 |
3 |
0 |
0.384 |
| 2 |
2 |
|
A |
69 |
21 |
7578 |
◊ |
A |
-x+5/4,z-1/4,y+1/4 |
18_645 |
68 |
21 |
7578 |
722.1 |
-6.7 |
0.306 |
10 |
0 |
0 |
0.625 |
3 |
|
B |
68 |
23 |
7719 |
◊ |
B |
-x+5/4,z-1/4,y+1/4 |
18_645 |
65 |
22 |
7719 |
711.7 |
-6.5 |
0.281 |
4 |
0 |
0 |
0.625 |
| Average: |
716.9 |
-6.6 |
0.294 |
7 |
0 |
0 |
0.625 |
| 3 |
4 |
|
A |
48 |
14 |
7578 |
x |
A |
z,x,y |
5_555 |
36 |
13 |
7578 |
393.1 |
-2.1 |
0.531 |
5 |
4 |
0 |
0.000 |
| 4 |
5 |
|
A |
24 |
10 |
7578 |
◊ |
B |
z,x,y |
5_555 |
24 |
8 |
7719 |
202.8 |
1.5 |
0.809 |
4 |
2 |
0 |
0.000 |
| 5 |
6 |
|
[MAN]B:405 |
11 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
26 |
11 |
7719 |
173.5 |
2.4 |
0.346 |
7 |
0 |
0 |
0.000 |
7 |
|
[MAN]A:405 |
11 |
1 |
287 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
7578 |
168.0 |
2.5 |
0.336 |
8 |
0 |
0 |
0.000 |
| Average: |
170.8 |
2.5 |
0.341 |
8 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[MAN]B:406 |
12 |
1 |
298 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
7719 |
142.9 |
1.9 |
0.279 |
4 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[MAN]A:406 |
12 |
1 |
302 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
7578 |
131.9 |
1.6 |
0.282 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[SO4]B:501 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
7719 |
88.3 |
-11.7 |
0.849 |
5 |
0 |
0 |
0.330 |
| 9 |
11 |
|
B |
7 |
3 |
7719 |
x |
B |
z,x,y |
5_555 |
10 |
5 |
7719 |
69.9 |
-2.0 |
0.166 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[SO4]A:502 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7578 |
63.7 |
-5.0 |
0.937 |
2 |
0 |
0 |
0.660 |
| 11 |
13 |
|
[SO4]B:500 |
5 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
7719 |
60.4 |
-7.8 |
0.907 |
5 |
0 |
0 |
0.239 |
| 12 |
14 |
|
[MAN]A:408 |
6 |
1 |
293 |
cf |
[MAN]A:407 |
x,y,z |
1_555 |
5 |
1 |
289 |
56.8 |
2.5 |
0.228 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[MAN]A:406 |
6 |
1 |
302 |
cf |
[MAN]A:405 |
x,y,z |
1_555 |
6 |
1 |
287 |
56.4 |
2.4 |
0.230 |
0 |
0 |
0 |
0.000 |
16 |
|
[MAN]B:406 |
6 |
1 |
298 |
cf |
[MAN]B:405 |
x,y,z |
1_555 |
5 |
1 |
290 |
54.6 |
2.3 |
0.227 |
0 |
0 |
0 |
0.000 |
| Average: |
55.5 |
2.3 |
0.228 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[SO4]B:511 |
3 |
1 |
162 |
fx |
[SO4]B:511 |
z,x,y |
5_555 |
3 |
1 |
162 |
55.8 |
-3.0 |
0.963 |
0 |
0 |
0 |
0.121 |
| 15 |
18 |
|
[MAN]A:407 |
7 |
1 |
289 |
cf |
[MAN]A:406 |
x,y,z |
1_555 |
5 |
1 |
302 |
55.5 |
2.4 |
0.224 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[MAN]A:408 |
6 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7578 |
55.0 |
0.0 |
0.178 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[MAN]B:407 |
6 |
1 |
291 |
cf |
[MAN]B:406 |
x,y,z |
1_555 |
4 |
1 |
298 |
54.1 |
2.5 |
0.310 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
B |
5 |
2 |
7719 |
◊ |
A |
-x+5/4,z-1/4,y+1/4 |
18_645 |
6 |
2 |
7578 |
43.8 |
-0.6 |
0.422 |
0 |
0 |
0 |
0.011 |
| 19 |
22 |
|
[SO4]A:503 |
4 |
1 |
184 |
◊ |
B |
-x+5/4,z-1/4,y+1/4 |
18_645 |
3 |
1 |
7719 |
33.6 |
-3.1 |
0.942 |
1 |
0 |
0 |
0.062 |
| 20 |
23 |
|
[MAN]A:407 |
3 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
7578 |
33.4 |
0.5 |
0.193 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[MAN]B:407 |
4 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7719 |
30.9 |
0.4 |
0.120 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[SO4]A:503 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
7578 |
29.3 |
-2.8 |
0.939 |
2 |
0 |
0 |
0.416 |
| 23 |
26 |
|
A |
2 |
1 |
7578 |
f |
[MAN]A:408 |
z,x,y |
5_555 |
2 |
1 |
293 |
23.0 |
0.2 |
0.231 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[SO4]B:511 |
3 |
1 |
162 |
f |
[MAN]B:407 |
x,y,z |
1_555 |
3 |
1 |
291 |
22.7 |
-2.3 |
0.258 |
0 |
0 |
0 |
0.094 |
| 25 |
28 |
|
[SO4]B:511 |
3 |
1 |
162 |
f |
[MAN]B:407 |
z,x,y |
5_555 |
3 |
1 |
291 |
18.1 |
-1.0 |
0.254 |
0 |
0 |
0 |
0.038 |
| 26 |
29 |
|
[MAN]B:407 |
3 |
1 |
291 |
f |
[SO4]B:511 |
z,x,y |
5_555 |
2 |
1 |
162 |
17.9 |
-0.9 |
0.248 |
0 |
0 |
0 |
0.038 |
| 27 |
30 |
|
[SO4]A:503 |
2 |
1 |
184 |
◊ |
A |
-x+5/4,z-1/4,y+1/4 |
18_645 |
3 |
2 |
7578 |
15.3 |
-1.6 |
0.859 |
0 |
0 |
0 |
0.182 |
| 28 |
31 |
|
[MAN]A:408 |
2 |
1 |
293 |
f |
[MAN]A:406 |
x,y,z |
1_555 |
2 |
1 |
302 |
12.1 |
0.5 |
0.271 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[SO4]A:503 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7719 |
2.6 |
-0.3 |
0.854 |
0 |
0 |
0 |
0.007 |
|