## |
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 |
71 |
25 |
16335 |
◊ |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
72 |
26 |
16335 |
662.8 |
1.1 |
0.841 |
5 |
0 |
0 |
0.000 |
2 |
|
A |
51 |
18 |
16335 |
◊ |
A |
-x,-x+y,-z |
6_555 |
52 |
18 |
16335 |
516.1 |
-4.2 |
0.331 |
1 |
0 |
0 |
0.000 |
3 |
|
A |
37 |
14 |
16335 |
x |
A |
-y,x-y+1,z |
2_565 |
33 |
11 |
16335 |
331.7 |
-2.0 |
0.433 |
1 |
0 |
0 |
0.506 |
4 |
|
[LXE]A:507 |
10 |
1 |
287 |
cf |
A |
x,y,z |
1_555 |
28 |
15 |
16335 |
176.5 |
-0.8 |
0.492 |
5 |
0 |
0 |
0.627 |
5 |
|
[NAG]A:502 |
11 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
18 |
8 |
16335 |
152.8 |
4.5 |
0.567 |
1 |
0 |
0 |
0.000 |
6 |
|
[PEG]A:522 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
16335 |
144.9 |
3.9 |
0.459 |
1 |
0 |
0 |
0.000 |
7 |
|
[PGE]A:531 |
9 |
1 |
320 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
16335 |
140.3 |
3.6 |
0.336 |
0 |
0 |
0 |
0.000 |
8 |
|
[NAG]A:504 |
11 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
16335 |
139.7 |
2.4 |
0.339 |
1 |
0 |
0 |
0.000 |
9 |
|
[PEG]A:521 |
6 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
16335 |
132.6 |
3.1 |
0.356 |
2 |
0 |
0 |
0.000 |
10 |
|
[PGE]A:517 |
9 |
1 |
330 |
◊ |
[PGE]A:517 |
-x,-x+y,-z |
6_555 |
9 |
1 |
330 |
118.1 |
6.0 |
0.114 |
0 |
0 |
0 |
0.000 |
11 |
|
[PEG]A:511 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
16335 |
114.6 |
3.1 |
0.375 |
1 |
0 |
0 |
0.000 |
12 |
|
[ACT]A:508 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
16335 |
113.9 |
-0.2 |
0.546 |
2 |
0 |
0 |
0.232 |
13 |
|
[PEG]A:524 |
6 |
1 |
247 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
16335 |
110.6 |
3.1 |
0.357 |
0 |
0 |
0 |
0.000 |
14 |
|
[PEG]A:513 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
16335 |
109.5 |
1.7 |
0.242 |
1 |
0 |
0 |
0.000 |
15 |
|
[PGE]A:531 |
9 |
1 |
320 |
◊ |
A |
-y,x-y+1,z |
2_565 |
16 |
5 |
16335 |
109.2 |
1.8 |
0.157 |
0 |
0 |
0 |
0.000 |
16 |
|
[PEG]A:509 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
16335 |
105.1 |
1.9 |
0.238 |
1 |
0 |
0 |
0.000 |
17 |
|
[PEG]A:526 |
6 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
16335 |
102.2 |
2.9 |
0.340 |
0 |
0 |
0 |
0.000 |
18 |
|
[PGE]A:517 |
8 |
1 |
330 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16335 |
101.6 |
2.2 |
0.238 |
0 |
0 |
0 |
0.000 |
19 |
|
[PGE]A:517 |
8 |
1 |
330 |
◊ |
A |
-x,-x+y,-z |
6_555 |
13 |
5 |
16335 |
98.2 |
2.6 |
0.292 |
0 |
0 |
0 |
0.000 |
20 |
|
[PEG]A:519 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
16335 |
94.5 |
2.6 |
0.426 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:528 |
4 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16335 |
87.4 |
1.9 |
0.226 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:516 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
16335 |
87.0 |
2.4 |
0.477 |
1 |
0 |
0 |
0.000 |
23 |
|
[PGE]A:510 |
7 |
1 |
336 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
16335 |
85.6 |
3.0 |
0.317 |
0 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:523 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16335 |
84.3 |
2.5 |
0.287 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:532 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
16335 |
82.7 |
1.8 |
0.227 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:515 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
16335 |
81.4 |
1.3 |
0.173 |
0 |
0 |
0 |
0.000 |
27 |
|
[PEG]A:525 |
6 |
1 |
249 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
16335 |
79.0 |
2.3 |
0.252 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]A:503 |
8 |
1 |
363 |
cf |
[NAG]A:502 |
x,y,z |
1_555 |
6 |
1 |
360 |
76.5 |
2.1 |
0.130 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]A:503 |
9 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
16335 |
76.3 |
0.9 |
0.177 |
1 |
0 |
0 |
0.000 |
30 |
|
[SO4]A:506 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16335 |
73.2 |
-10.7 |
0.660 |
1 |
0 |
0 |
1.000 |
31 |
|
[EDO]A:514 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
16335 |
71.1 |
1.5 |
0.680 |
0 |
0 |
0 |
0.000 |
32 |
|
[PGE]A:510 |
5 |
1 |
336 |
◊ |
A |
-y,x-y+1,z |
2_565 |
9 |
5 |
16335 |
69.6 |
1.0 |
0.225 |
0 |
0 |
0 |
0.000 |
33 |
|
[ACT]A:520 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16335 |
69.1 |
-0.1 |
0.587 |
1 |
0 |
0 |
0.116 |
34 |
|
[EDO]A:527 |
3 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
16335 |
68.4 |
1.8 |
0.000 |
1 |
0 |
0 |
0.000 |
35 |
|
A |
7 |
5 |
16335 |
◊ |
[PEG]A:525 |
-y,x-y+1,z |
2_565 |
5 |
1 |
249 |
68.3 |
1.9 |
0.275 |
0 |
0 |
0 |
0.000 |
36 |
|
[SO4]A:512 |
5 |
1 |
183 |
f |
[SO4]A:512 |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
5 |
1 |
183 |
60.7 |
-12.6 |
0.993 |
0 |
0 |
0 |
0.111 |
37 |
|
[EDO]A:530 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
16335 |
60.3 |
1.5 |
0.537 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:529 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
16335 |
59.4 |
1.5 |
0.778 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
7 |
4 |
16335 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
7 |
4 |
16335 |
58.4 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
40 |
|
[SO4]A:506 |
4 |
1 |
181 |
◊ |
A |
-x,-x+y,-z |
6_555 |
9 |
4 |
16335 |
56.5 |
-8.1 |
0.676 |
1 |
0 |
0 |
0.000 |
41 |
|
[SO4]A:518 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
16335 |
55.0 |
-6.0 |
0.954 |
2 |
0 |
0 |
1.000 |
42 |
|
[EDO]A:516 |
4 |
1 |
187 |
f |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
11 |
5 |
16335 |
53.7 |
1.4 |
0.633 |
0 |
0 |
0 |
0.000 |
43 |
|
[SO4]A:512 |
4 |
1 |
183 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
10 |
6 |
16335 |
50.2 |
-6.7 |
0.640 |
0 |
0 |
0 |
0.105 |
44 |
|
[SO4]A:512 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
16335 |
48.3 |
-6.7 |
0.655 |
0 |
0 |
0 |
0.105 |
45 |
|
[PEG]A:513 |
6 |
1 |
261 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
6 |
2 |
16335 |
47.7 |
1.1 |
0.197 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
8 |
4 |
16335 |
◊ |
[EDO]A:530 |
-y,x-y+1,z |
2_565 |
4 |
1 |
185 |
46.9 |
0.9 |
0.698 |
0 |
0 |
0 |
0.000 |
47 |
|
[NAG]A:504 |
5 |
1 |
364 |
x |
[NAG]A:504 |
-y,x-y+1,z |
2_565 |
5 |
1 |
364 |
42.7 |
0.8 |
0.136 |
0 |
0 |
0 |
0.000 |
48 |
|
[SO4]A:505 |
4 |
1 |
185 |
◊ |
[NAG]A:504 |
-y,x-y+1,z |
2_565 |
7 |
1 |
364 |
42.4 |
-4.5 |
0.339 |
0 |
0 |
0 |
0.943 |
49 |
|
[SO4]A:505 |
4 |
1 |
185 |
f |
[NAG]A:504 |
x,y,z |
1_555 |
7 |
1 |
364 |
42.0 |
-4.5 |
0.339 |
0 |
0 |
0 |
0.943 |
50 |
|
[NAG]A:504 |
7 |
1 |
364 |
◊ |
[SO4]A:505 |
-y,x-y+1,z |
2_565 |
4 |
1 |
185 |
42.0 |
-4.5 |
0.339 |
0 |
0 |
0 |
0.943 |
51 |
|
[ACT]A:520 |
3 |
1 |
184 |
◊ |
A |
-x,-x+y,-z |
6_555 |
5 |
2 |
16335 |
39.4 |
-0.2 |
0.425 |
0 |
0 |
0 |
0.000 |
52 |
|
[PGE]A:510 |
4 |
1 |
336 |
f |
[PEG]A:525 |
-y,x-y+1,z |
2_565 |
3 |
1 |
249 |
36.4 |
0.6 |
0.093 |
0 |
0 |
0 |
0.000 |
53 |
|
[EDO]A:527 |
3 |
1 |
173 |
◊ |
[PEG]A:525 |
-y,x-y+1,z |
2_565 |
1 |
1 |
249 |
34.0 |
1.8 |
0.816 |
0 |
0 |
0 |
0.000 |
54 |
|
[EDO]A:514 |
3 |
1 |
184 |
f |
[PEG]A:513 |
x,y,z |
1_555 |
2 |
1 |
261 |
29.1 |
0.7 |
0.350 |
0 |
0 |
0 |
0.000 |
55 |
|
[PEG]A:519 |
1 |
1 |
219 |
f |
[SO4]A:518 |
x,y,z |
1_555 |
1 |
1 |
185 |
24.8 |
-2.3 |
0.566 |
0 |
0 |
0 |
0.486 |
56 |
|
[PEG]A:509 |
2 |
1 |
255 |
f |
[ACT]A:508 |
x,y,z |
1_555 |
3 |
1 |
188 |
24.5 |
-0.6 |
0.204 |
0 |
0 |
0 |
0.125 |
57 |
|
[PGE]A:531 |
2 |
1 |
320 |
fx |
[PGE]A:531 |
-y,x-y+1,z |
2_565 |
2 |
1 |
320 |
21.9 |
0.7 |
0.180 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]A:514 |
2 |
1 |
184 |
f |
[EDO]A:514 |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
2 |
1 |
184 |
15.8 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
59 |
|
[EDO]A:532 |
2 |
1 |
184 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
1 |
1 |
360 |
12.7 |
0.5 |
0.598 |
0 |
0 |
0 |
0.000 |
60 |
|
A |
2 |
1 |
16335 |
◊ |
[SO4]A:505 |
-y,x-y+1,z |
2_565 |
1 |
1 |
185 |
12.5 |
-1.4 |
0.806 |
0 |
0 |
0 |
0.285 |
61 |
|
[SO4]A:505 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
16335 |
12.5 |
-1.4 |
0.806 |
0 |
0 |
0 |
0.285 |
62 |
|
[SO4]A:505 |
1 |
1 |
185 |
◊ |
A |
-y,x-y+1,z |
2_565 |
2 |
1 |
16335 |
12.4 |
-1.4 |
0.804 |
0 |
0 |
0 |
0.283 |
63 |
|
[EDO]A:515 |
2 |
1 |
186 |
f |
[PEG]A:525 |
-y,x-y+1,z |
2_565 |
2 |
1 |
249 |
11.8 |
0.7 |
0.471 |
0 |
0 |
0 |
0.000 |
64 |
|
[PGE]A:510 |
3 |
1 |
336 |
f |
[EDO]A:530 |
-y,x-y+1,z |
2_565 |
1 |
1 |
185 |
8.3 |
0.3 |
0.333 |
0 |
0 |
0 |
0.000 |
65 |
|
[NAG]A:504 |
1 |
1 |
364 |
◊ |
A |
-y,x-y+1,z |
2_565 |
1 |
1 |
16335 |
7.0 |
0.1 |
0.294 |
0 |
0 |
0 |
0.000 |
66 |
|
[PEG]A:513 |
1 |
1 |
261 |
f |
[SO4]A:512 |
x,y,z |
1_555 |
1 |
1 |
183 |
4.1 |
-0.2 |
0.478 |
0 |
0 |
0 |
0.004 |
67 |
|
[PEG]A:513 |
2 |
1 |
261 |
f |
[SO4]A:512 |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
1 |
1 |
183 |
3.9 |
-0.2 |
0.404 |
0 |
0 |
0 |
0.004 |
68 |
|
[EDO]A:515 |
1 |
1 |
186 |
f |
[PGE]A:510 |
x,y,z |
1_555 |
1 |
1 |
336 |
0.8 |
0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
|