| ## |
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 |
|
B |
139 |
24 |
3662 |
◊ |
A |
x,y,z |
1_555 |
199 |
64 |
16578 |
1748.8 |
-11.5 |
0.754 |
36 |
16 |
0 |
0.972 |
2 |
|
A |
60 |
20 |
16578 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
58 |
19 |
16578 |
542.8 |
-4.0 |
0.331 |
8 |
2 |
0 |
0.000 |
3 |
|
A |
44 |
15 |
16578 |
x |
A |
x-1,y,z |
1_455 |
49 |
12 |
16578 |
420.1 |
-5.7 |
0.160 |
4 |
0 |
0 |
0.000 |
4 |
|
B |
30 |
6 |
3662 |
◊ |
A |
x,y,z-1 |
1_554 |
39 |
11 |
16578 |
316.9 |
-6.8 |
0.163 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
35 |
12 |
16578 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
43 |
12 |
16578 |
303.0 |
-0.7 |
0.604 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
19 |
8 |
16578 |
x |
A |
x,y,z-1 |
1_554 |
20 |
7 |
16578 |
222.6 |
-2.5 |
0.230 |
3 |
0 |
0 |
0.000 |
7 |
|
[PEG]A:512 |
7 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
16578 |
165.5 |
3.5 |
0.418 |
3 |
0 |
0 |
0.000 |
8 |
|
A |
16 |
8 |
16578 |
f |
[PGE]A:513 |
x-1,y,z |
1_455 |
9 |
1 |
339 |
143.9 |
3.2 |
0.231 |
1 |
0 |
0 |
0.000 |
9 |
|
[PEG]A:510 |
7 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
16578 |
125.8 |
1.2 |
0.207 |
0 |
0 |
0 |
0.000 |
10 |
|
[PEG]A:508 |
7 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
16578 |
125.4 |
3.6 |
0.383 |
0 |
0 |
0 |
0.000 |
11 |
|
[PGE]A:513 |
10 |
1 |
339 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
16578 |
119.7 |
1.4 |
0.095 |
0 |
0 |
0 |
0.000 |
12 |
|
[PEG]A:511 |
7 |
1 |
264 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
16578 |
118.5 |
1.2 |
0.230 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
13 |
7 |
16578 |
◊ |
[PEG]A:509 |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
1 |
255 |
106.8 |
2.7 |
0.355 |
2 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:514 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
16578 |
97.1 |
2.7 |
0.375 |
2 |
0 |
0 |
0.000 |
15 |
|
[SCN]A:503 |
3 |
1 |
178 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
16578 |
93.7 |
-2.1 |
0.523 |
0 |
0 |
0 |
0.067 |
16 |
|
[SCN]A:505 |
3 |
1 |
177 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
16578 |
93.0 |
-3.5 |
0.490 |
1 |
0 |
0 |
0.127 |
17 |
|
[EDO]A:518 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
16578 |
92.4 |
2.6 |
0.470 |
5 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:516 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
16578 |
89.1 |
1.8 |
0.255 |
1 |
0 |
0 |
0.000 |
19 |
|
[SCN]A:504 |
3 |
1 |
179 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16578 |
88.7 |
-3.8 |
0.342 |
1 |
0 |
0 |
0.138 |
20 |
|
[SCN]A:501 |
3 |
1 |
179 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
16578 |
88.1 |
-3.2 |
0.407 |
2 |
0 |
0 |
0.133 |
21 |
|
[PEG]A:508 |
6 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
3662 |
87.3 |
0.9 |
0.238 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:515 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
16578 |
86.2 |
2.2 |
0.235 |
1 |
0 |
0 |
0.000 |
23 |
|
[PEG]A:509 |
6 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16578 |
80.9 |
2.1 |
0.311 |
2 |
0 |
0 |
0.000 |
24 |
|
A |
12 |
4 |
16578 |
f |
[SCN]A:502 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
178 |
77.0 |
-1.8 |
0.593 |
0 |
0 |
0 |
0.057 |
25 |
|
[EDO]A:519 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
16578 |
71.9 |
1.7 |
0.287 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:517 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
16578 |
69.7 |
1.7 |
0.264 |
1 |
0 |
0 |
0.000 |
27 |
|
[SCN]A:507 |
3 |
1 |
177 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
16578 |
69.1 |
-1.5 |
0.614 |
1 |
0 |
0 |
0.063 |
28 |
|
[SCN]A:506 |
3 |
1 |
178 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
16578 |
65.8 |
-1.7 |
0.717 |
2 |
0 |
0 |
0.084 |
29 |
|
A |
12 |
3 |
16578 |
◊ |
[EDO]A:519 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
184 |
61.0 |
1.0 |
0.197 |
1 |
0 |
0 |
0.000 |
30 |
|
[SCN]A:502 |
3 |
1 |
178 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
16578 |
59.7 |
-0.9 |
0.710 |
1 |
0 |
0 |
0.000 |
31 |
|
[SCN]A:504 |
3 |
1 |
179 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
16578 |
50.8 |
-0.6 |
0.461 |
0 |
0 |
0 |
0.000 |
32 |
|
[PEG]A:510 |
6 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
3662 |
50.4 |
0.3 |
0.124 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
7 |
1 |
16578 |
◊ |
[SCN]A:506 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
178 |
40.8 |
-0.6 |
0.605 |
0 |
0 |
0 |
0.000 |
34 |
|
[SCN]A:503 |
3 |
1 |
178 |
f |
[PGE]A:513 |
x-1,y,z |
1_455 |
2 |
1 |
339 |
40.6 |
0.6 |
0.455 |
0 |
0 |
0 |
0.000 |
35 |
|
[SCN]A:507 |
3 |
1 |
177 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
7 |
2 |
16578 |
36.9 |
-1.8 |
0.517 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
7 |
2 |
16578 |
◊ |
[SCN]A:501 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
179 |
34.1 |
-0.7 |
0.550 |
0 |
0 |
0 |
0.000 |
37 |
|
[PEG]A:512 |
2 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
3662 |
26.6 |
0.3 |
0.323 |
0 |
0 |
0 |
0.000 |
38 |
|
[SCN]A:507 |
2 |
1 |
177 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
3 |
16578 |
26.6 |
-1.1 |
0.545 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
4 |
1 |
16578 |
f |
[EDO]A:517 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
184 |
24.3 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
40 |
|
[SCN]A:507 |
3 |
1 |
177 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
3662 |
23.7 |
-0.3 |
0.533 |
0 |
0 |
0 |
0.010 |
41 |
|
[EDO]A:519 |
2 |
1 |
184 |
f |
[SCN]A:501 |
x,y,z |
1_555 |
3 |
1 |
179 |
23.1 |
0.5 |
0.861 |
0 |
0 |
0 |
0.000 |
42 |
|
[EDO]A:517 |
2 |
1 |
184 |
f |
[PEG]A:511 |
x,y,z |
1_555 |
2 |
1 |
264 |
15.7 |
0.1 |
0.319 |
0 |
0 |
0 |
0.000 |
43 |
|
[SCN]A:507 |
1 |
1 |
177 |
◊ |
[SCN]A:502 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
178 |
9.5 |
-0.8 |
0.667 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
3 |
1 |
16578 |
x |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
16578 |
8.7 |
0.2 |
0.682 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
3 |
2 |
16578 |
◊ |
[EDO]A:517 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
184 |
8.5 |
0.5 |
0.876 |
0 |
0 |
0 |
0.000 |
46 |
|
[SCN]A:503 |
1 |
1 |
178 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
16578 |
5.4 |
-0.2 |
0.724 |
0 |
0 |
0 |
0.000 |
47 |
|
B |
1 |
1 |
3662 |
x |
B |
x,y,z-1 |
1_554 |
2 |
1 |
3662 |
1.3 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
|