## |
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 |
264 |
70 |
21740 |
◊ |
A |
x,y,z |
1_555 |
282 |
78 |
30326 |
2509.3 |
-29.5 |
0.083 |
25 |
1 |
0 |
0.308 |
2 |
|
A |
58 |
15 |
30326 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
58 |
15 |
30326 |
616.2 |
-2.1 |
0.633 |
6 |
4 |
0 |
0.000 |
3 |
|
A |
71 |
21 |
30326 |
◊ |
B |
x,y-1,z |
1_545 |
65 |
24 |
21740 |
594.7 |
-8.0 |
0.144 |
2 |
2 |
0 |
0.000 |
4 |
|
[K5A]A:601 |
37 |
1 |
794 |
f |
A |
x,y,z |
1_555 |
84 |
21 |
30326 |
548.2 |
-11.8 |
0.373 |
3 |
0 |
0 |
0.099 |
5 |
|
A |
47 |
10 |
30326 |
◊ |
A |
-x,y,-z |
2_555 |
47 |
10 |
30326 |
448.8 |
-2.9 |
0.523 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
40 |
10 |
30326 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
42 |
18 |
21740 |
386.2 |
-0.1 |
0.699 |
8 |
0 |
0 |
0.000 |
7 |
|
A |
32 |
12 |
30326 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
33 |
12 |
21740 |
289.8 |
2.2 |
0.834 |
4 |
2 |
0 |
0.000 |
8 |
|
B |
23 |
7 |
21740 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
30 |
8 |
21740 |
234.2 |
-2.2 |
0.376 |
1 |
3 |
0 |
0.000 |
9 |
|
A |
21 |
11 |
30326 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
22 |
9 |
30326 |
210.4 |
-1.3 |
0.470 |
2 |
1 |
0 |
0.000 |
10 |
|
[EDO]B:508 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
21740 |
122.1 |
3.3 |
0.437 |
0 |
0 |
0 |
0.000 |
11 |
|
[EDO]B:506 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
21740 |
120.0 |
4.0 |
0.703 |
2 |
0 |
0 |
0.000 |
12 |
|
[SO4]A:603 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
30326 |
119.4 |
-17.9 |
0.675 |
3 |
0 |
0 |
0.146 |
13 |
|
[EDO]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
6 |
21740 |
116.0 |
3.6 |
0.487 |
2 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:615 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
30326 |
113.1 |
4.0 |
0.561 |
4 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:606 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
30326 |
113.0 |
4.1 |
0.712 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:617 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
30326 |
106.4 |
3.0 |
0.519 |
1 |
0 |
0 |
0.000 |
17 |
|
[EDO]B:509 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
21740 |
106.3 |
2.7 |
0.448 |
3 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:607 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
30326 |
102.1 |
3.4 |
0.502 |
4 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:616 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
30326 |
101.2 |
3.5 |
0.325 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:510 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
21740 |
99.3 |
2.6 |
0.440 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:618 |
4 |
1 |
184 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
18 |
7 |
21740 |
98.2 |
2.6 |
0.498 |
1 |
0 |
0 |
0.000 |
22 |
|
[SO4]A:604 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
30326 |
93.7 |
-12.1 |
0.872 |
5 |
0 |
0 |
0.109 |
23 |
|
[EDO]A:608 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
21740 |
91.7 |
3.1 |
0.500 |
1 |
0 |
0 |
0.000 |
24 |
|
[EDO]B:513 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
21740 |
91.3 |
3.0 |
0.528 |
1 |
0 |
0 |
0.000 |
25 |
|
[EDO]B:511 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
21740 |
91.0 |
2.0 |
0.359 |
1 |
0 |
0 |
0.000 |
26 |
|
[SO4]A:605 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
30326 |
89.3 |
-12.2 |
0.809 |
3 |
0 |
0 |
0.103 |
27 |
|
[EDO]A:610 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
30326 |
88.9 |
1.9 |
0.271 |
4 |
0 |
0 |
0.000 |
28 |
|
[SO4]B:502 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
21740 |
88.7 |
-11.5 |
0.879 |
2 |
0 |
0 |
0.094 |
29 |
|
[EDO]A:609 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
30326 |
88.4 |
3.2 |
0.510 |
2 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:512 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
21740 |
86.9 |
1.9 |
0.260 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:613 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
30326 |
85.0 |
2.0 |
0.262 |
2 |
0 |
0 |
0.000 |
32 |
|
[SO4]B:504 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
21740 |
80.2 |
-12.2 |
0.670 |
2 |
0 |
0 |
0.099 |
33 |
|
[EDO]B:514 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
21740 |
79.0 |
2.1 |
0.291 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]B:503 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
21740 |
78.9 |
-12.0 |
0.626 |
2 |
0 |
0 |
0.098 |
35 |
|
[EDO]B:507 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
21740 |
76.6 |
1.7 |
0.241 |
1 |
0 |
0 |
0.000 |
36 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
21740 |
75.4 |
-10.4 |
0.861 |
1 |
0 |
0 |
0.082 |
37 |
|
[EDO]A:614 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
30326 |
74.2 |
2.3 |
0.303 |
1 |
0 |
0 |
0.000 |
38 |
|
[SO4]B:502 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
30326 |
67.9 |
-9.1 |
0.828 |
0 |
0 |
0 |
0.069 |
39 |
|
[EDO]B:507 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
30326 |
67.0 |
1.0 |
0.650 |
1 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:612 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
30326 |
65.4 |
1.3 |
0.725 |
1 |
0 |
0 |
0.000 |
41 |
|
[SO4]B:501 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
30326 |
63.1 |
-8.4 |
0.711 |
1 |
0 |
0 |
0.067 |
42 |
|
[EDO]A:611 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
21740 |
58.2 |
2.0 |
0.261 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:618 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
30326 |
57.7 |
1.7 |
0.293 |
2 |
0 |
0 |
0.000 |
44 |
|
[EDO]B:514 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
30326 |
56.9 |
1.5 |
0.285 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]A:609 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
21740 |
56.9 |
0.7 |
0.704 |
1 |
0 |
0 |
0.000 |
46 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
30326 |
55.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.063 |
47 |
|
[EDO]B:510 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
30326 |
54.5 |
0.9 |
0.476 |
0 |
0 |
0 |
0.000 |
48 |
|
[K5A]A:601 |
7 |
1 |
794 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
21740 |
53.0 |
-1.6 |
0.536 |
0 |
0 |
0 |
0.012 |
49 |
|
B |
4 |
2 |
21740 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
21740 |
50.7 |
-0.6 |
0.357 |
0 |
0 |
0 |
0.000 |
50 |
|
[K5A]A:601 |
4 |
1 |
794 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
21740 |
49.4 |
-1.0 |
0.321 |
0 |
0 |
0 |
0.000 |
51 |
|
[EDO]A:611 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
30326 |
49.2 |
1.4 |
0.915 |
3 |
0 |
0 |
0.000 |
52 |
|
[EDO]A:608 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
30326 |
47.6 |
0.4 |
0.349 |
0 |
0 |
0 |
0.000 |
53 |
|
[EDO]B:513 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
30326 |
47.2 |
0.8 |
0.621 |
1 |
0 |
0 |
0.000 |
54 |
|
[EDO]B:512 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
30326 |
45.5 |
1.1 |
0.801 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
6 |
1 |
30326 |
f |
[EDO]B:512 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
184 |
39.7 |
1.1 |
0.272 |
0 |
0 |
0 |
0.000 |
56 |
|
[EDO]B:509 |
2 |
1 |
182 |
f |
[SO4]B:504 |
x,y,z |
1_555 |
4 |
1 |
184 |
34.7 |
-2.4 |
0.707 |
0 |
0 |
0 |
0.018 |
57 |
|
[EDO]A:617 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
21740 |
19.4 |
0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]B:507 |
2 |
1 |
185 |
f |
[EDO]A:611 |
x,y,z |
1_555 |
2 |
1 |
184 |
18.3 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
59 |
|
A |
2 |
1 |
30326 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
30326 |
17.3 |
-0.2 |
0.428 |
0 |
0 |
0 |
0.000 |
60 |
|
[EDO]A:616 |
2 |
1 |
184 |
f |
[EDO]A:615 |
x,y,z |
1_555 |
1 |
1 |
184 |
13.7 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[SO4]B:503 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
30326 |
11.9 |
-1.0 |
0.905 |
0 |
0 |
0 |
0.008 |
62 |
|
[EDO]A:613 |
1 |
1 |
185 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
21740 |
9.8 |
0.7 |
0.947 |
0 |
0 |
0 |
0.000 |
63 |
|
[EDO]A:609 |
2 |
1 |
183 |
f |
[K5A]A:601 |
x,y,z |
1_555 |
1 |
1 |
794 |
7.7 |
-0.2 |
0.593 |
0 |
0 |
0 |
0.001 |
64 |
|
[EDO]A:616 |
1 |
1 |
184 |
f |
[SO4]A:604 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.5 |
-0.5 |
0.894 |
0 |
0 |
0 |
0.004 |
65 |
|
[EDO]A:614 |
1 |
1 |
185 |
f |
[EDO]A:607 |
x,y,z |
1_555 |
1 |
1 |
183 |
3.1 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
|
A |
2 |
1 |
30326 |
f |
[EDO]A:610 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
184 |
2.6 |
0.1 |
0.847 |
0 |
0 |
0 |
0.000 |
|