## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
226 |
62 |
15999 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
220 |
62 |
15999 |
2047.2 |
-27.1 |
0.038 |
16 |
0 |
0 |
0.218 |
2 |
|
A |
85 |
20 |
15999 |
x |
A |
x-y-1,-y-1,-z |
8_445 |
66 |
17 |
15999 |
640.1 |
-7.7 |
0.207 |
6 |
3 |
0 |
0.000 |
3 |
|
A |
28 |
8 |
15999 |
x |
A |
x-y,x,z-1/6 |
6_554 |
34 |
12 |
15999 |
309.7 |
-1.2 |
0.329 |
2 |
0 |
0 |
0.000 |
4 |
|
[EDO]A:416 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
15999 |
130.7 |
3.2 |
0.587 |
2 |
0 |
0 |
0.000 |
5 |
|
[EDO]A:414 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
15999 |
107.8 |
2.7 |
0.496 |
2 |
0 |
0 |
0.000 |
6 |
|
[EDO]A:412 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
9 |
15999 |
101.7 |
2.5 |
0.398 |
0 |
0 |
0 |
0.000 |
7 |
|
[EDO]A:415 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
15999 |
100.1 |
3.3 |
0.512 |
5 |
0 |
0 |
0.000 |
8 |
|
[SO4]A:401 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15999 |
91.5 |
-12.6 |
0.736 |
2 |
0 |
0 |
0.172 |
9 |
|
[SO4]A:402 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
15999 |
89.3 |
-11.6 |
0.899 |
4 |
0 |
0 |
0.170 |
10 |
|
[EDO]A:411 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
15999 |
88.1 |
2.6 |
0.403 |
1 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:408 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15999 |
88.1 |
2.5 |
0.518 |
2 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:418 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
15999 |
85.9 |
3.2 |
0.526 |
0 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:405 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15999 |
85.4 |
2.0 |
0.454 |
2 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:417 |
4 |
1 |
184 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
11 |
6 |
15999 |
84.8 |
2.6 |
0.523 |
2 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:413 |
4 |
1 |
184 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
9 |
4 |
15999 |
82.9 |
2.3 |
0.241 |
1 |
0 |
0 |
0.000 |
16 |
|
[SO4]A:424 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
15999 |
82.6 |
-11.4 |
0.711 |
1 |
0 |
0 |
0.150 |
17 |
|
[SO4]A:422 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15999 |
81.8 |
-12.1 |
0.587 |
1 |
0 |
0 |
0.160 |
18 |
|
[SO4]A:403 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15999 |
81.6 |
-10.5 |
0.924 |
3 |
0 |
0 |
0.151 |
19 |
|
[EDO]A:409 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
15999 |
77.6 |
1.7 |
0.258 |
3 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:419 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15999 |
75.6 |
2.1 |
0.843 |
3 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:407 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15999 |
74.3 |
1.5 |
0.252 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:406 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
15999 |
73.9 |
1.2 |
0.693 |
3 |
0 |
0 |
0.001 |
23 |
|
[SO4]A:421 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15999 |
70.5 |
-9.2 |
0.904 |
3 |
0 |
0 |
0.134 |
24 |
|
[OXD]A:423 |
6 |
1 |
199 |
◊ |
[OXD]A:423 |
x,x-y-1,-z-1/6 |
12_544 |
6 |
1 |
199 |
70.3 |
0.3 |
0.596 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:420 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
15999 |
67.6 |
1.8 |
0.259 |
1 |
0 |
0 |
0.000 |
26 |
|
[SO4]A:404 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15999 |
60.9 |
-7.5 |
0.845 |
2 |
0 |
0 |
0.107 |
27 |
|
[OXD]A:423 |
6 |
1 |
199 |
f |
A |
x,x-y-1,-z-1/6 |
12_544 |
8 |
5 |
15999 |
60.7 |
0.1 |
0.623 |
2 |
0 |
0 |
0.010 |
28 |
|
[EDO]A:410 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15999 |
52.4 |
1.0 |
0.207 |
1 |
0 |
0 |
0.000 |
29 |
|
A |
6 |
4 |
15999 |
f |
[EDO]A:411 |
x-y-1,-y-1,-z |
8_445 |
3 |
1 |
182 |
51.9 |
1.6 |
0.279 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:407 |
4 |
1 |
184 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
7 |
2 |
15999 |
50.8 |
0.6 |
0.542 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:410 |
4 |
1 |
182 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
10 |
3 |
15999 |
50.6 |
1.1 |
0.779 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:409 |
3 |
1 |
185 |
f |
A |
x-y-1,-y-1,-z |
8_445 |
6 |
2 |
15999 |
49.8 |
0.7 |
0.665 |
1 |
0 |
0 |
0.000 |
33 |
|
[OXD]A:423 |
5 |
1 |
199 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
15999 |
48.1 |
0.8 |
0.702 |
2 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:420 |
3 |
1 |
182 |
f |
A |
x,x-y-1,-z-1/6 |
12_544 |
5 |
2 |
15999 |
38.1 |
1.1 |
0.931 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:417 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15999 |
38.0 |
0.8 |
0.522 |
1 |
0 |
0 |
0.000 |
36 |
|
[SO4]A:401 |
4 |
1 |
183 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
4 |
2 |
15999 |
36.7 |
-4.0 |
0.922 |
0 |
0 |
0 |
0.051 |
37 |
|
[EDO]A:405 |
3 |
1 |
181 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
6 |
2 |
15999 |
36.4 |
0.7 |
0.138 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:408 |
4 |
1 |
185 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
5 |
4 |
15999 |
35.1 |
0.3 |
0.486 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:413 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
15999 |
33.4 |
0.6 |
0.803 |
0 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:410 |
2 |
1 |
182 |
◊ |
[EDO]A:407 |
x,y,z |
1_555 |
3 |
1 |
184 |
30.1 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:414 |
3 |
1 |
184 |
f |
[SO4]A:403 |
x,y,z |
1_555 |
3 |
1 |
187 |
29.9 |
-3.1 |
0.996 |
1 |
0 |
0 |
0.045 |
42 |
|
A |
3 |
1 |
15999 |
f |
[EDO]A:412 |
x-y-1,-y-1,-z |
8_445 |
3 |
1 |
184 |
24.9 |
1.1 |
0.904 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:417 |
3 |
1 |
184 |
◊ |
[EDO]A:408 |
x,x-y-1,-z-1/6 |
12_544 |
2 |
1 |
185 |
23.5 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:408 |
3 |
1 |
185 |
◊ |
[EDO]A:405 |
x,x-y-1,-z-1/6 |
12_544 |
3 |
1 |
181 |
22.6 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]A:415 |
2 |
1 |
182 |
◊ |
[EDO]A:409 |
x,y,z |
1_555 |
2 |
1 |
185 |
21.4 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[EDO]A:410 |
2 |
1 |
182 |
◊ |
[EDO]A:409 |
x,y,z |
1_555 |
2 |
1 |
185 |
19.1 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[EDO]A:415 |
2 |
1 |
182 |
f |
[EDO]A:410 |
x,y,z |
1_555 |
1 |
1 |
182 |
16.4 |
1.0 |
0.707 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
2 |
2 |
15999 |
◊ |
[EDO]A:407 |
x-y,x,z-1/6 |
6_554 |
2 |
1 |
184 |
16.3 |
0.2 |
0.433 |
0 |
0 |
0 |
0.000 |
49 |
|
[EDO]A:418 |
2 |
1 |
184 |
f |
[EDO]A:406 |
x,y,z |
1_555 |
1 |
1 |
184 |
15.9 |
0.4 |
1.000 |
1 |
0 |
0 |
0.000 |
50 |
|
[EDO]A:417 |
2 |
1 |
184 |
f |
[EDO]A:405 |
x,y,z |
1_555 |
2 |
1 |
181 |
13.8 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[SO4]A:403 |
3 |
1 |
187 |
◊ |
A |
x,x-y-1,-z-1/6 |
12_544 |
2 |
1 |
15999 |
12.3 |
-1.3 |
0.868 |
0 |
0 |
0 |
0.017 |
52 |
|
[EDO]A:417 |
2 |
1 |
184 |
◊ |
[EDO]A:413 |
x,x-y-1,-z-1/6 |
12_544 |
2 |
1 |
184 |
11.5 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
|
A |
1 |
1 |
15999 |
f |
[EDO]A:410 |
x-y,x,z-1/6 |
6_554 |
1 |
1 |
182 |
8.1 |
-0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
54 |
|
A |
2 |
1 |
15999 |
x |
A |
x,y-1,z |
1_545 |
1 |
1 |
15999 |
3.5 |
-0.1 |
0.464 |
0 |
0 |
0 |
0.000 |
55 |
|
[EDO]A:418 |
1 |
1 |
184 |
◊ |
[EDO]A:417 |
x,x-y-1,-z-1/6 |
12_544 |
1 |
1 |
184 |
3.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[EDO]A:405 |
1 |
1 |
181 |
f |
[SO4]A:422 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.2 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.003 |
|