| ## |
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 |
70 |
19 |
16280 |
◊ |
A |
x,y,z |
1_555 |
69 |
19 |
16500 |
610.2 |
-5.2 |
0.415 |
2 |
4 |
0 |
0.000 |
2 |
|
B |
54 |
18 |
16280 |
◊ |
A |
x-1,y,z |
1_455 |
53 |
18 |
16500 |
563.8 |
1.9 |
0.874 |
10 |
8 |
0 |
0.000 |
3 |
|
B |
48 |
14 |
16280 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
9 |
16500 |
346.3 |
-2.4 |
0.462 |
6 |
2 |
0 |
0.000 |
4 |
|
A |
28 |
10 |
16500 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
8 |
16500 |
271.3 |
-1.8 |
0.455 |
2 |
0 |
0 |
0.000 |
5 |
|
B |
21 |
10 |
16280 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
11 |
16500 |
169.4 |
1.8 |
0.892 |
2 |
2 |
0 |
0.000 |
6 |
|
[EDO]A:507 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
16500 |
108.4 |
2.3 |
0.391 |
3 |
0 |
0 |
0.000 |
7 |
|
[SO4]B:509 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
16280 |
106.0 |
-16.0 |
0.668 |
0 |
0 |
0 |
0.078 |
8 |
|
B |
13 |
7 |
16280 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
16500 |
102.1 |
-0.9 |
0.440 |
0 |
0 |
0 |
0.000 |
9 |
|
[EDO]B:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
16280 |
100.0 |
2.4 |
0.442 |
1 |
0 |
0 |
0.000 |
10 |
|
[EDO]B:506 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
16280 |
99.1 |
2.0 |
0.236 |
2 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:510 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
16500 |
96.0 |
2.9 |
0.476 |
1 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:507 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
16280 |
93.2 |
2.0 |
0.276 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
16280 |
91.7 |
2.8 |
0.466 |
0 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:506 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
16500 |
88.2 |
3.6 |
0.343 |
1 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:505 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
16280 |
88.1 |
2.2 |
0.277 |
1 |
0 |
0 |
0.000 |
16 |
|
[EDO]B:508 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
16280 |
87.7 |
2.4 |
0.467 |
2 |
0 |
0 |
0.000 |
17 |
|
[SO4]A:511 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16500 |
78.0 |
-10.6 |
0.898 |
4 |
0 |
0 |
0.125 |
18 |
|
[SO4]B:510 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
16280 |
77.9 |
-10.5 |
0.920 |
3 |
0 |
0 |
0.058 |
19 |
|
[ACT]A:502 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16500 |
77.1 |
0.4 |
0.757 |
3 |
0 |
0 |
0.010 |
20 |
|
[ACT]B:502 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
16280 |
70.4 |
0.1 |
0.789 |
1 |
0 |
0 |
0.002 |
21 |
|
[EDO]A:508 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
16500 |
68.5 |
2.0 |
0.885 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:509 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
16500 |
62.5 |
1.9 |
0.890 |
1 |
0 |
0 |
0.000 |
23 |
|
B |
6 |
2 |
16280 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
16280 |
58.3 |
0.1 |
0.631 |
0 |
2 |
0 |
0.000 |
24 |
|
[EDO]A:504 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
16280 |
54.7 |
1.8 |
0.298 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
6 |
2 |
16280 |
f |
[EDO]A:509 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
184 |
52.9 |
1.1 |
0.832 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16280 |
51.9 |
0.5 |
0.565 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16500 |
50.7 |
0.3 |
0.538 |
2 |
0 |
0 |
0.006 |
28 |
|
[ACT]A:503 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
16500 |
50.1 |
0.9 |
0.836 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:505 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
16500 |
49.8 |
1.7 |
0.301 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:503 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
16500 |
36.7 |
1.3 |
0.876 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:504 |
3 |
1 |
184 |
◊ |
[ACT]A:503 |
x,y,z |
1_555 |
3 |
1 |
184 |
35.6 |
1.0 |
0.935 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:505 |
4 |
1 |
184 |
◊ |
[EDO]A:504 |
x,y,z |
1_555 |
3 |
1 |
184 |
34.8 |
1.6 |
1.000 |
1 |
0 |
0 |
0.000 |
33 |
|
[EDO]B:505 |
2 |
1 |
185 |
◊ |
[EDO]A:509 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
184 |
30.8 |
1.8 |
0.707 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:510 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
16280 |
26.6 |
1.0 |
0.849 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:505 |
2 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
16500 |
22.8 |
0.8 |
0.881 |
0 |
0 |
0 |
0.000 |
36 |
|
[ACT]A:503 |
2 |
1 |
184 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
16500 |
21.9 |
-0.0 |
0.703 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:506 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
16280 |
20.1 |
0.9 |
0.920 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:505 |
2 |
1 |
184 |
◊ |
[ACT]A:503 |
x,y,z |
1_555 |
1 |
1 |
184 |
19.6 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]B:508 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
16500 |
16.6 |
0.6 |
0.825 |
0 |
0 |
0 |
0.000 |
40 |
|
[ACT]A:503 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16280 |
8.0 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:504 |
1 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
16500 |
1.0 |
0.1 |
0.842 |
0 |
0 |
0 |
0.000 |
|