| ## |
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 |
75 |
25 |
14032 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
74 |
24 |
14032 |
644.9 |
-9.3 |
0.047 |
4 |
0 |
0 |
0.000 |
2 |
|
A |
58 |
17 |
14032 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
58 |
17 |
14032 |
536.0 |
-3.1 |
0.442 |
2 |
0 |
0 |
0.000 |
3 |
|
[507]A:500 |
25 |
1 |
519 |
f |
A |
x,y,z |
1_555 |
55 |
22 |
14032 |
400.9 |
-7.8 |
0.406 |
2 |
0 |
0 |
0.074 |
4 |
|
A |
36 |
11 |
14032 |
x |
A |
x-1/2,-y+1/2,-z |
8_455 |
35 |
10 |
14032 |
352.0 |
-1.4 |
0.499 |
4 |
0 |
0 |
0.000 |
5 |
|
A |
34 |
11 |
14032 |
x |
A |
x-1/2,y+1/2,z |
5_455 |
31 |
9 |
14032 |
297.3 |
-2.0 |
0.435 |
2 |
0 |
0 |
0.000 |
6 |
|
[EDO]A:7 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
14032 |
110.2 |
2.8 |
0.427 |
3 |
0 |
0 |
0.000 |
7 |
|
[EDO]A:5 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
14032 |
107.7 |
3.3 |
0.516 |
5 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:10 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
14032 |
107.5 |
3.4 |
0.462 |
2 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:3 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14032 |
105.8 |
3.5 |
0.468 |
6 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:13 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
14032 |
105.3 |
2.8 |
0.457 |
3 |
0 |
0 |
0.000 |
11 |
|
[PO4]A:2 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
14032 |
104.9 |
-6.1 |
0.723 |
3 |
0 |
0 |
0.063 |
12 |
|
[EDO]A:4 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14032 |
101.0 |
3.5 |
0.496 |
4 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:502 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
14032 |
90.3 |
3.9 |
0.347 |
3 |
0 |
0 |
0.000 |
14 |
|
[PO4]A:1 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
14032 |
88.5 |
-4.4 |
0.853 |
3 |
0 |
0 |
0.049 |
15 |
|
[EDO]A:12 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14032 |
83.3 |
2.4 |
0.290 |
2 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:9 |
4 |
1 |
184 |
f |
[EDO]A:9 |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
184 |
78.9 |
3.5 |
1.000 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:501 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
14032 |
74.2 |
2.2 |
0.288 |
2 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:15 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
14032 |
72.1 |
2.6 |
0.939 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:6 |
4 |
1 |
185 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
17 |
4 |
14032 |
61.1 |
1.1 |
0.231 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:8 |
4 |
1 |
183 |
f |
A |
x-1,y,z |
1_455 |
4 |
2 |
14032 |
59.9 |
1.2 |
0.813 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:14 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
14032 |
58.4 |
1.4 |
0.257 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:14 |
4 |
1 |
185 |
f |
A |
-x,y,-z+1/2 |
3_555 |
13 |
6 |
14032 |
58.3 |
1.5 |
0.250 |
2 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:6 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
14032 |
56.7 |
1.2 |
0.379 |
1 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:14 |
4 |
1 |
185 |
◊ |
[EDO]A:14 |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
185 |
52.3 |
2.5 |
1.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:8 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14032 |
52.1 |
1.5 |
0.267 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:13 |
4 |
1 |
183 |
f |
A |
-x+1,y,-z+1/2 |
3_655 |
11 |
3 |
14032 |
48.9 |
1.3 |
0.724 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:6 |
4 |
1 |
185 |
f |
[EDO]A:6 |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
185 |
46.2 |
2.5 |
0.125 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
8 |
2 |
14032 |
x |
A |
x-1,y,z |
1_455 |
4 |
2 |
14032 |
43.0 |
1.6 |
0.774 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:9 |
3 |
1 |
184 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
5 |
2 |
14032 |
39.4 |
1.2 |
0.925 |
2 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:7 |
3 |
1 |
185 |
f |
A |
-x,y,-z+1/2 |
3_555 |
5 |
2 |
14032 |
39.2 |
0.9 |
0.680 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:9 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
14032 |
37.2 |
1.0 |
0.926 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:5 |
3 |
1 |
184 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
14032 |
37.1 |
1.2 |
0.680 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:11 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14032 |
36.1 |
0.1 |
0.229 |
1 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:501 |
3 |
1 |
185 |
f |
[PO4]A:1 |
x,y,z |
1_555 |
4 |
1 |
188 |
35.9 |
-0.9 |
0.986 |
2 |
0 |
0 |
0.015 |
35 |
|
[EDO]A:11 |
3 |
1 |
186 |
f |
A |
-x+1,y,-z+1/2 |
3_655 |
4 |
2 |
14032 |
34.3 |
0.0 |
0.239 |
1 |
0 |
0 |
0.003 |
36 |
|
[507]A:500 |
4 |
1 |
519 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
4 |
1 |
14032 |
29.8 |
-0.3 |
0.736 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:502 |
2 |
1 |
185 |
f |
[EDO]A:15 |
x,y,z |
1_555 |
3 |
1 |
186 |
28.4 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:10 |
2 |
1 |
185 |
f |
A |
-x,y,-z+1/2 |
3_555 |
3 |
2 |
14032 |
13.1 |
0.4 |
0.808 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:4 |
1 |
1 |
184 |
f |
[PO4]A:1 |
x,y,z |
1_555 |
1 |
1 |
188 |
10.5 |
-0.2 |
0.894 |
0 |
0 |
0 |
0.002 |
40 |
|
[EDO]A:4 |
1 |
1 |
184 |
f |
[EDO]A:12 |
x,y,z |
1_555 |
3 |
1 |
183 |
8.4 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:9 |
1 |
1 |
184 |
f |
[EDO]A:6 |
x,y,z |
1_555 |
1 |
1 |
185 |
6.7 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
2 |
2 |
14032 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
2 |
14032 |
4.3 |
0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:9 |
2 |
1 |
184 |
f |
[EDO]A:6 |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
185 |
4.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:3 |
2 |
1 |
182 |
f |
[PO4]A:2 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.1 |
-0.0 |
0.894 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]A:502 |
1 |
1 |
185 |
f |
A |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
14032 |
0.3 |
0.0 |
0.776 |
0 |
0 |
0 |
0.000 |
|