| ## |
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 |
74 |
14 |
13846 |
x |
A |
-x+3/2,-y,z-1/2 |
2_654 |
72 |
21 |
13846 |
641.3 |
-1.7 |
0.640 |
8 |
2 |
0 |
0.000 |
2 |
|
A |
28 |
10 |
13846 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
27 |
9 |
13846 |
305.1 |
-3.9 |
0.217 |
1 |
0 |
0 |
0.000 |
3 |
|
A |
31 |
9 |
13846 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
28 |
6 |
13846 |
273.1 |
-1.0 |
0.577 |
5 |
1 |
0 |
0.000 |
4 |
|
[CPS]A:404 |
19 |
1 |
588 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
13846 |
236.0 |
-0.3 |
0.187 |
0 |
0 |
0 |
0.000 |
5 |
|
[CPS]A:402 |
21 |
1 |
797 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
28 |
10 |
13846 |
234.7 |
-0.3 |
0.305 |
0 |
0 |
0 |
0.000 |
6 |
|
[OTY]A:114 |
13 |
1 |
339 |
cf |
A |
x,y,z |
1_555 |
29 |
13 |
13846 |
205.1 |
-2.3 |
0.470 |
9 |
0 |
0 |
0.008 |
7 |
|
[CPS]A:402 |
16 |
1 |
797 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
13846 |
201.4 |
0.6 |
0.307 |
0 |
0 |
0 |
0.000 |
8 |
|
[CPS]A:403 |
14 |
1 |
839 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
13846 |
193.8 |
-0.4 |
0.385 |
0 |
0 |
0 |
0.000 |
9 |
|
[SF4]A:401 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
13846 |
192.2 |
-22.9 |
0.201 |
0 |
0 |
0 |
0.027 |
10 |
|
A |
20 |
9 |
13846 |
◊ |
[CPS]A:403 |
x-1/2,-y+1/2,-z |
4_455 |
15 |
1 |
839 |
184.4 |
0.3 |
0.426 |
0 |
0 |
0 |
0.000 |
11 |
|
[CPS]A:406 |
15 |
1 |
512 |
f |
A |
x,y,z |
1_555 |
22 |
5 |
13846 |
164.8 |
-1.2 |
0.187 |
0 |
0 |
0 |
0.001 |
12 |
|
A |
18 |
6 |
13846 |
◊ |
[CPS]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
11 |
1 |
581 |
150.1 |
1.8 |
0.423 |
0 |
0 |
0 |
0.000 |
13 |
|
[FES]A:409 |
4 |
1 |
238 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
13846 |
122.9 |
-13.8 |
0.341 |
1 |
0 |
0 |
0.017 |
14 |
|
A |
12 |
5 |
13846 |
◊ |
[CPS]A:406 |
x-1/2,-y+1/2,-z |
4_455 |
9 |
1 |
512 |
86.1 |
0.4 |
0.455 |
0 |
0 |
0 |
0.000 |
15 |
|
[CPS]A:405 |
7 |
1 |
581 |
◊ |
[CPS]A:403 |
x,y,z |
1_555 |
8 |
1 |
839 |
79.7 |
2.6 |
0.597 |
0 |
0 |
0 |
0.000 |
16 |
|
[CPS]A:406 |
7 |
1 |
512 |
◊ |
[CPS]A:402 |
x,y,z |
1_555 |
7 |
1 |
797 |
77.7 |
1.4 |
0.354 |
0 |
0 |
0 |
0.000 |
17 |
|
[CPS]A:405 |
8 |
1 |
581 |
◊ |
[CPS]A:404 |
x,y,z |
1_555 |
8 |
1 |
588 |
76.0 |
-0.0 |
0.162 |
0 |
0 |
0 |
0.000 |
18 |
|
[CL]A:408 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13846 |
75.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.014 |
19 |
|
[CPS]A:402 |
6 |
1 |
797 |
◊ |
[CPS]A:404 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
588 |
71.8 |
2.5 |
0.582 |
0 |
0 |
0 |
0.000 |
20 |
|
[CPS]A:402 |
7 |
1 |
797 |
◊ |
[CPS]A:403 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
839 |
71.3 |
2.7 |
0.641 |
0 |
0 |
0 |
0.000 |
21 |
|
[CL]A:407 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
13846 |
70.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.014 |
22 |
|
[CPS]A:402 |
7 |
1 |
797 |
f |
[CPS]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
581 |
69.9 |
-0.1 |
0.221 |
0 |
0 |
0 |
0.100 |
23 |
|
[CPS]A:404 |
5 |
1 |
588 |
f |
[CPS]A:403 |
x,y,z |
1_555 |
6 |
1 |
839 |
60.4 |
0.3 |
0.311 |
0 |
0 |
0 |
0.000 |
24 |
|
[H2S]A:411 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13846 |
58.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.005 |
25 |
|
[H2S]A:412 |
1 |
1 |
133 |
cf |
A |
x,y,z |
1_555 |
7 |
5 |
13846 |
51.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.005 |
26 |
|
[CPS]A:405 |
4 |
1 |
581 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13846 |
50.1 |
0.4 |
0.486 |
0 |
0 |
0 |
0.000 |
27 |
|
[CPS]A:403 |
5 |
1 |
839 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
5 |
3 |
13846 |
42.8 |
0.5 |
0.592 |
0 |
0 |
0 |
0.000 |
28 |
|
[H2S]A:412 |
1 |
1 |
133 |
cf |
[FES]A:409 |
x,y,z |
1_555 |
3 |
1 |
238 |
41.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.006 |
29 |
|
[CPS]A:406 |
3 |
1 |
512 |
◊ |
[CPS]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
581 |
38.7 |
0.8 |
0.457 |
0 |
0 |
0 |
0.000 |
30 |
|
[CPS]A:406 |
3 |
1 |
512 |
◊ |
[CPS]A:404 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
588 |
26.6 |
0.9 |
0.488 |
0 |
0 |
0 |
0.000 |
31 |
|
[H2S]A:411 |
1 |
1 |
133 |
f |
[FES]A:409 |
x,y,z |
1_555 |
2 |
1 |
238 |
26.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
32 |
|
A |
1 |
1 |
13846 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
13846 |
16.0 |
0.4 |
0.850 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
3 |
1 |
13846 |
x |
A |
x-1,y,z |
1_455 |
2 |
1 |
13846 |
12.6 |
-0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
34 |
|
[H2S]A:411 |
1 |
1 |
133 |
◊ |
[CPS]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
581 |
11.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[CPS]A:406 |
2 |
1 |
512 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
13846 |
11.1 |
-0.3 |
0.348 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
1 |
1 |
13846 |
◊ |
[OTY]A:114 |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
339 |
8.1 |
0.3 |
0.774 |
0 |
0 |
0 |
0.000 |
37 |
|
[FES]A:409 |
1 |
1 |
238 |
◊ |
[CPS]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
581 |
2.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[H2S]A:412 |
1 |
1 |
133 |
f |
[H2S]A:411 |
x,y,z |
1_555 |
1 |
1 |
133 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|