## |
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 |
54 |
17 |
21061 |
◊ |
A |
y-1/3,x+1/3,-z-2/3 |
10_454 |
54 |
17 |
21061 |
500.6 |
-6.7 |
0.127 |
0 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
53 |
16 |
21061 |
x |
A |
-y,x-y,z |
2_555 |
42 |
15 |
21061 |
458.8 |
-0.3 |
0.659 |
0 |
6 |
0 |
0.000 |
3 |
3 |
|
A |
22 |
8 |
21061 |
◊ |
A |
-x,-x+y,-z |
6_555 |
22 |
8 |
21061 |
297.4 |
-3.5 |
0.146 |
1 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
33 |
11 |
21061 |
◊ |
A |
-x-2/3,-x+y-1/3,-z-1/3 |
18_444 |
33 |
11 |
21061 |
243.2 |
-0.7 |
0.590 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
23 |
4 |
21061 |
x |
A |
-y-1/3,x-y+1/3,z+1/3 |
8_455 |
24 |
7 |
21061 |
183.8 |
0.9 |
0.737 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[EDO]A:515 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
21061 |
116.3 |
3.5 |
0.446 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
[XYS]A:504 |
8 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
21061 |
106.5 |
0.9 |
0.299 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[SO4]A:514 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21061 |
80.0 |
-12.3 |
0.528 |
1 |
0 |
0 |
0.028 |
9 |
9 |
|
A |
5 |
2 |
21061 |
◊ |
A |
x-y,-y,-z |
5_555 |
5 |
2 |
21061 |
76.5 |
-0.9 |
0.254 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]A:516 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
21061 |
75.2 |
1.9 |
0.267 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[SO4]A:513 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
21061 |
72.6 |
-10.7 |
0.651 |
3 |
0 |
0 |
0.027 |
12 |
12 |
|
[BGC]A:507 |
9 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
21061 |
68.9 |
0.4 |
0.225 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[BGC]A:508 |
9 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
21061 |
67.1 |
0.6 |
0.179 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[BGC]A:509 |
8 |
1 |
298 |
◊ |
A |
x,y,z |
1_555 |
8 |
1 |
21061 |
64.3 |
0.3 |
0.161 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[BGC]A:505 |
9 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
21061 |
63.2 |
0.5 |
0.140 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[BGC]A:505 |
6 |
1 |
292 |
cf |
[BGC]A:501 |
x,y,z |
1_555 |
5 |
1 |
302 |
62.5 |
1.1 |
0.148 |
0 |
0 |
0 |
0.000 |
17 |
|
[BGC]A:509 |
7 |
1 |
298 |
cf |
[BGC]A:508 |
x,y,z |
1_555 |
5 |
1 |
293 |
62.3 |
1.0 |
0.146 |
0 |
0 |
0 |
0.000 |
18 |
|
[BGC]A:508 |
7 |
1 |
293 |
cf |
[BGC]A:507 |
x,y,z |
1_555 |
6 |
1 |
292 |
61.6 |
1.1 |
0.145 |
1 |
0 |
0 |
0.000 |
Average: |
62.1 |
1.1 |
0.146 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[BGC]A:506 |
8 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
13 |
2 |
21061 |
61.0 |
0.6 |
0.226 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[SO4]A:512 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
21061 |
60.9 |
-6.7 |
0.950 |
1 |
0 |
0 |
0.016 |
19 |
21 |
|
[BGC]A:506 |
6 |
1 |
291 |
cf |
[BGC]A:505 |
x,y,z |
1_555 |
6 |
1 |
292 |
60.4 |
0.8 |
0.094 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[BGC]A:507 |
6 |
1 |
292 |
cf |
[BGC]A:506 |
x,y,z |
1_555 |
6 |
1 |
291 |
58.1 |
0.9 |
0.149 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[BGC]A:501 |
7 |
1 |
302 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
21061 |
54.8 |
0.7 |
0.228 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[XYS]A:502 |
5 |
1 |
258 |
cf |
[BGC]A:505 |
x,y,z |
1_555 |
4 |
1 |
292 |
54.7 |
2.4 |
0.351 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[XYS]A:504 |
6 |
1 |
258 |
cf |
[BGC]A:507 |
x,y,z |
1_555 |
4 |
1 |
292 |
53.1 |
2.3 |
0.324 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[XYS]A:503 |
6 |
1 |
260 |
cf |
[BGC]A:506 |
x,y,z |
1_555 |
4 |
1 |
291 |
52.5 |
2.3 |
0.357 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[SO4]A:511 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
21061 |
51.5 |
-5.1 |
0.960 |
1 |
0 |
0 |
0.012 |
26 |
28 |
|
[XYS]A:502 |
5 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
21061 |
48.2 |
1.0 |
0.450 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[CA]A:510 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
21061 |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.028 |
28 |
30 |
|
[SO4]A:511 |
4 |
1 |
185 |
◊ |
A |
-y-1/3,x-y+1/3,z+1/3 |
8_455 |
2 |
1 |
21061 |
38.5 |
-3.4 |
0.990 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[XYS]A:502 |
5 |
1 |
258 |
f |
[BGC]A:506 |
x,y,z |
1_555 |
4 |
1 |
291 |
36.5 |
1.4 |
0.296 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[XYS]A:503 |
6 |
1 |
260 |
f |
[BGC]A:507 |
x,y,z |
1_555 |
3 |
1 |
292 |
35.0 |
1.2 |
0.246 |
0 |
0 |
0 |
0.000 |
33 |
|
[XYS]A:504 |
6 |
1 |
258 |
f |
[BGC]A:508 |
x,y,z |
1_555 |
4 |
1 |
293 |
34.9 |
1.1 |
0.240 |
0 |
0 |
0 |
0.000 |
Average: |
35.0 |
1.2 |
0.243 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
A |
4 |
2 |
21061 |
◊ |
[SO4]A:512 |
-y,x-y,z |
2_555 |
3 |
1 |
184 |
35.0 |
-4.4 |
0.496 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[EDO]A:517 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
21061 |
31.3 |
0.4 |
0.760 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[XYS]A:503 |
3 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
21061 |
27.2 |
0.4 |
0.450 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[XYS]A:504 |
2 |
1 |
258 |
f |
[BGC]A:506 |
x,y,z |
1_555 |
1 |
1 |
291 |
12.8 |
0.6 |
0.268 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[XYS]A:503 |
1 |
1 |
260 |
f |
[BGC]A:505 |
x,y,z |
1_555 |
1 |
1 |
292 |
10.0 |
0.4 |
0.201 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[XYS]A:502 |
1 |
1 |
258 |
◊ |
A |
-y-1/3,x-y+1/3,z+1/3 |
8_455 |
1 |
1 |
21061 |
8.4 |
0.2 |
0.422 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[XYS]A:503 |
1 |
1 |
260 |
◊ |
A |
-y-1/3,x-y+1/3,z+1/3 |
8_455 |
1 |
1 |
21061 |
4.5 |
0.3 |
0.432 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[BGC]A:501 |
1 |
1 |
302 |
f |
[BGC]A:501 |
-x-2/3,-x+y-1/3,-z-1/3 |
18_444 |
1 |
1 |
302 |
4.4 |
0.1 |
0.167 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[XYS]A:502 |
1 |
1 |
258 |
f |
[BGC]A:501 |
x,y,z |
1_555 |
1 |
1 |
302 |
4.1 |
0.2 |
0.192 |
0 |
0 |
0 |
0.000 |
|