| ## |
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 |
|
A |
66 |
15 |
13666 |
x |
A |
-x+3/2,-y,z-1/2 |
2_654 |
74 |
21 |
13666 |
614.0 |
-2.7 |
0.561 |
8 |
3 |
0 |
0.000 |
| 2 |
2 |
|
A |
30 |
9 |
13666 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
27 |
6 |
13666 |
272.5 |
-1.2 |
0.583 |
5 |
1 |
0 |
0.000 |
| 3 |
3 |
|
A |
31 |
11 |
13666 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
23 |
8 |
13666 |
265.8 |
-4.7 |
0.165 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[5AD]A:409 |
17 |
1 |
407 |
f |
A |
x,y,z |
1_555 |
45 |
16 |
13666 |
248.7 |
3.9 |
0.574 |
3 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[CPS]A:412 |
21 |
1 |
794 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
24 |
9 |
13666 |
234.0 |
-0.1 |
0.299 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[CPS]A:414 |
19 |
1 |
584 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
13666 |
225.2 |
-0.3 |
0.213 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[CPS]A:412 |
16 |
1 |
794 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
13666 |
202.4 |
0.6 |
0.336 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[CPS]A:413 |
14 |
1 |
823 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
13666 |
193.7 |
-0.4 |
0.418 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[SF4]A:417 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
13666 |
176.6 |
-18.3 |
0.616 |
0 |
0 |
0 |
0.022 |
| 10 |
10 |
|
[CPS]A:416 |
15 |
1 |
505 |
f |
A |
x,y,z |
1_555 |
24 |
5 |
13666 |
171.0 |
-2.0 |
0.168 |
0 |
0 |
0 |
0.002 |
| 11 |
11 |
|
A |
20 |
8 |
13666 |
◊ |
[CPS]A:413 |
x-1/2,-y+1/2,-z |
4_455 |
12 |
1 |
823 |
162.1 |
0.6 |
0.539 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
A |
18 |
6 |
13666 |
◊ |
[CPS]A:415 |
x-1/2,-y+1/2,-z |
4_455 |
12 |
1 |
572 |
156.2 |
1.9 |
0.444 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[GOL]A:411 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
13666 |
121.9 |
0.8 |
0.748 |
4 |
0 |
0 |
0.001 |
| 14 |
14 |
|
[FES]A:410 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13666 |
115.3 |
-13.0 |
0.494 |
0 |
0 |
0 |
0.016 |
| 15 |
15 |
|
[IOD]A:418 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
13666 |
88.3 |
0.8 |
0.906 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
A |
11 |
4 |
13666 |
◊ |
[CPS]A:416 |
x-1/2,-y+1/2,-z |
4_455 |
9 |
1 |
505 |
82.1 |
0.7 |
0.488 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[CPS]A:415 |
7 |
1 |
572 |
◊ |
[CPS]A:414 |
x,y,z |
1_555 |
7 |
1 |
584 |
74.7 |
-0.0 |
0.184 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[CPS]A:416 |
8 |
1 |
505 |
◊ |
[CPS]A:412 |
x,y,z |
1_555 |
7 |
1 |
794 |
74.1 |
1.3 |
0.314 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[CPS]A:412 |
6 |
1 |
794 |
◊ |
[CPS]A:414 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
584 |
71.7 |
2.4 |
0.556 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[CPS]A:412 |
7 |
1 |
794 |
◊ |
[CPS]A:413 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
823 |
67.7 |
2.6 |
0.651 |
0 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[CPS]A:412 |
7 |
1 |
794 |
f |
[CPS]A:415 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
572 |
66.0 |
-0.1 |
0.205 |
0 |
0 |
0 |
0.100 |
| 22 |
22 |
|
[CPS]A:414 |
7 |
1 |
584 |
f |
[CPS]A:413 |
x,y,z |
1_555 |
6 |
1 |
823 |
62.0 |
0.3 |
0.296 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[H2S]A:408 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13666 |
57.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 24 |
24 |
|
[CPS]A:415 |
6 |
1 |
572 |
◊ |
[CPS]A:413 |
x,y,z |
1_555 |
7 |
1 |
823 |
57.8 |
1.7 |
0.524 |
0 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[H2S]A:407 |
1 |
1 |
133 |
cf |
A |
x,y,z |
1_555 |
11 |
5 |
13666 |
57.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.005 |
| 26 |
26 |
|
[CPS]A:415 |
4 |
1 |
572 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13666 |
46.1 |
0.5 |
0.501 |
0 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[CYN]A:405 |
2 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
13666 |
45.4 |
-0.5 |
0.656 |
0 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[CMO]A:404 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
13666 |
40.5 |
-0.8 |
0.616 |
0 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[CPS]A:416 |
3 |
1 |
505 |
◊ |
[CPS]A:415 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
572 |
39.5 |
1.1 |
0.495 |
0 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[CMO]A:403 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
13666 |
38.8 |
-0.7 |
0.647 |
1 |
0 |
0 |
0.001 |
| 31 |
31 |
|
[CL]A:419 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
13666 |
38.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| 32 |
32 |
|
[FE2]A:402 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
13666 |
38.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 33 |
33 |
|
[FES]A:410 |
3 |
1 |
235 |
f |
[H2S]A:408 |
x,y,z |
1_555 |
1 |
1 |
133 |
35.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 34 |
34 |
|
[FES]A:410 |
3 |
1 |
235 |
f |
[H2S]A:407 |
x,y,z |
1_555 |
1 |
1 |
133 |
35.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 35 |
35 |
|
[SF4]A:417 |
3 |
1 |
309 |
f |
[5AD]A:409 |
x,y,z |
1_555 |
6 |
1 |
407 |
31.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| 36 |
36 |
|
[CPS]A:416 |
3 |
1 |
505 |
◊ |
[CPS]A:414 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
584 |
28.9 |
0.7 |
0.431 |
0 |
0 |
0 |
0.000 |
| 37 |
37 |
|
[CPS]A:413 |
3 |
1 |
823 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
4 |
3 |
13666 |
28.3 |
-0.1 |
0.393 |
0 |
0 |
0 |
0.000 |
| 38 |
38 |
|
[CYN]A:405 |
1 |
1 |
144 |
cf |
[FE2]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 39 |
39 |
|
[CMO]A:403 |
1 |
1 |
137 |
cf |
[FE2]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.006 |
40 |
|
[CMO]A:404 |
1 |
1 |
137 |
cf |
[FE2]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
22.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| 40 |
41 |
|
[CMO]A:404 |
1 |
1 |
137 |
f |
[CMO]A:403 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.8 |
-0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[CYN]A:405 |
2 |
1 |
144 |
f |
[CMO]A:404 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.7 |
-0.6 |
0.612 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[CYN]A:405 |
1 |
1 |
144 |
f |
[CMO]A:403 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.4 |
-0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
[CL]A:419 |
1 |
1 |
125 |
f |
[5AD]A:409 |
x,y,z |
1_555 |
5 |
1 |
407 |
14.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.001 |
| 44 |
45 |
|
[CL]A:419 |
1 |
1 |
125 |
f |
[FE2]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
13.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 45 |
46 |
|
A |
1 |
1 |
13666 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
13666 |
12.1 |
0.3 |
0.837 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[CPS]A:416 |
2 |
1 |
505 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
13666 |
10.6 |
-0.3 |
0.352 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[CL]A:419 |
1 |
1 |
125 |
f |
[CYN]A:405 |
x,y,z |
1_555 |
2 |
1 |
144 |
10.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 48 |
49 |
|
A |
3 |
1 |
13666 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
13666 |
8.1 |
-0.0 |
0.426 |
0 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[5AD]A:409 |
2 |
1 |
407 |
f |
[FE2]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
8.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
51 |
|
[CL]A:419 |
1 |
1 |
125 |
f |
[CMO]A:404 |
x,y,z |
1_555 |
1 |
1 |
137 |
7.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.001 |
| 51 |
52 |
|
[5AD]A:409 |
1 |
1 |
407 |
f |
[CMO]A:403 |
x,y,z |
1_555 |
1 |
1 |
137 |
3.8 |
0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
| 52 |
53 |
|
[CL]A:419 |
1 |
1 |
125 |
f |
[CMO]A:403 |
x,y,z |
1_555 |
1 |
1 |
137 |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
54 |
|
[5AD]A:409 |
2 |
1 |
407 |
f |
[CMO]A:404 |
x,y,z |
1_555 |
1 |
1 |
137 |
3.2 |
0.1 |
0.379 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
[H2S]A:408 |
1 |
1 |
133 |
f |
[H2S]A:407 |
x,y,z |
1_555 |
1 |
1 |
133 |
3.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|