## |
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 |
175 |
41 |
6709 |
◊ |
A |
x,y,z |
1_555 |
177 |
43 |
6869 |
1727.2 |
-21.1 |
0.218 |
32 |
8 |
0 |
0.408 |
2 |
|
B |
43 |
12 |
6709 |
◊ |
A |
x-1,y,z |
1_455 |
41 |
11 |
6869 |
391.1 |
-4.9 |
0.387 |
0 |
0 |
0 |
0.000 |
3 |
|
[RIT]A:100 |
35 |
1 |
898 |
f |
A |
x,y,z |
1_555 |
45 |
15 |
6869 |
390.3 |
-8.6 |
0.639 |
4 |
0 |
0 |
0.116 |
4 |
|
[RIT]A:100 |
35 |
1 |
898 |
◊ |
B |
x,y,z |
1_555 |
43 |
15 |
6709 |
368.3 |
-7.9 |
0.624 |
4 |
0 |
0 |
0.107 |
5 |
|
A |
36 |
8 |
6869 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
33 |
9 |
6709 |
320.9 |
-4.8 |
0.323 |
1 |
0 |
0 |
0.000 |
6 |
|
B |
18 |
7 |
6709 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
29 |
11 |
6709 |
236.3 |
-1.5 |
0.528 |
2 |
3 |
0 |
0.000 |
7 |
|
B |
21 |
6 |
6709 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
26 |
7 |
6869 |
226.5 |
-5.2 |
0.149 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
27 |
9 |
6869 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
21 |
5 |
6709 |
198.5 |
-1.3 |
0.613 |
2 |
0 |
0 |
0.000 |
9 |
|
B |
22 |
6 |
6709 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
5 |
6869 |
158.0 |
-0.8 |
0.621 |
1 |
1 |
0 |
0.000 |
10 |
|
A |
17 |
4 |
6869 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
13 |
6 |
6869 |
116.5 |
-2.1 |
0.362 |
0 |
0 |
0 |
0.000 |
11 |
|
[DMS]B:994 |
4 |
1 |
207 |
f |
A |
x-1,y,z |
1_455 |
18 |
7 |
6869 |
109.4 |
1.5 |
0.505 |
1 |
0 |
0 |
0.000 |
12 |
|
[DMS]B:992 |
4 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
6709 |
102.3 |
2.2 |
0.562 |
2 |
0 |
0 |
0.000 |
13 |
|
[GOL]B:101 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
6709 |
94.9 |
-1.2 |
0.442 |
1 |
0 |
0 |
0.019 |
14 |
|
[DMS]B:993 |
4 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
6709 |
82.3 |
2.8 |
0.554 |
0 |
0 |
0 |
0.000 |
15 |
|
B |
13 |
4 |
6709 |
◊ |
[DMS]A:991 |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
1 |
208 |
75.6 |
1.7 |
0.455 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
13 |
3 |
6709 |
◊ |
[GOL]B:101 |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
1 |
219 |
69.0 |
0.3 |
0.663 |
2 |
0 |
0 |
0.000 |
17 |
|
A |
7 |
4 |
6869 |
x |
A |
-x+3/2,-y,z-1/2 |
2_654 |
7 |
5 |
6869 |
68.9 |
-0.9 |
0.481 |
0 |
0 |
0 |
0.000 |
18 |
|
[SO4]B:1040 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6709 |
67.7 |
-9.6 |
0.814 |
3 |
0 |
0 |
0.122 |
19 |
|
A |
10 |
5 |
6869 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
1 |
6869 |
67.3 |
-1.7 |
0.224 |
0 |
0 |
0 |
0.000 |
20 |
|
[SO4]B:100 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
6709 |
65.4 |
-9.9 |
0.622 |
2 |
0 |
0 |
0.121 |
21 |
|
[CL]A:308 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
6869 |
58.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.095 |
22 |
|
[GOL]A:1041 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6869 |
58.1 |
-0.3 |
0.602 |
1 |
0 |
0 |
0.008 |
23 |
|
[DMS]B:993 |
3 |
1 |
207 |
f |
A |
x-1,y,z |
1_455 |
7 |
3 |
6869 |
52.7 |
0.9 |
0.354 |
0 |
0 |
0 |
0.000 |
24 |
|
[GOL]A:1041 |
4 |
1 |
218 |
f |
[RIT]A:100 |
x,y,z |
1_555 |
5 |
1 |
898 |
49.3 |
0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
25 |
|
[RIT]A:100 |
4 |
1 |
898 |
◊ |
[DMS]A:991 |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
1 |
208 |
44.0 |
-1.0 |
0.292 |
0 |
0 |
0 |
0.000 |
26 |
|
[DMS]A:991 |
3 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
6869 |
43.5 |
1.3 |
0.486 |
0 |
0 |
0 |
0.000 |
27 |
|
[SO4]B:1040 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
6869 |
40.5 |
-4.7 |
0.743 |
1 |
0 |
0 |
0.000 |
28 |
|
B |
3 |
1 |
6709 |
◊ |
[SO4]B:100 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
184 |
35.5 |
-3.1 |
0.971 |
1 |
0 |
0 |
0.000 |
29 |
|
[GOL]A:1041 |
3 |
1 |
218 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
1 |
6869 |
34.2 |
-0.6 |
0.430 |
0 |
0 |
0 |
0.000 |
30 |
|
[GOL]A:1041 |
3 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6709 |
33.9 |
-0.7 |
0.458 |
0 |
0 |
0 |
0.008 |
31 |
|
[DMS]B:992 |
1 |
1 |
206 |
f |
A |
x-1,y,z |
1_455 |
7 |
3 |
6869 |
32.8 |
0.9 |
0.530 |
0 |
0 |
0 |
0.000 |
32 |
|
[DMS]B:994 |
2 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
6709 |
32.5 |
1.1 |
0.728 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
2 |
1 |
6869 |
◊ |
[SO4]B:1040 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
185 |
32.0 |
-2.7 |
0.976 |
1 |
0 |
0 |
0.000 |
34 |
|
[SO4]B:100 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
6869 |
28.5 |
-3.1 |
0.820 |
0 |
0 |
0 |
0.035 |
35 |
|
[DMS]B:994 |
3 |
1 |
207 |
f |
[DMS]B:992 |
x,y,z |
1_555 |
3 |
1 |
206 |
28.4 |
1.5 |
0.203 |
0 |
0 |
0 |
0.000 |
36 |
|
[CL]A:308 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6709 |
21.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.023 |
37 |
|
A |
2 |
1 |
6869 |
◊ |
[DMS]A:991 |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
208 |
18.7 |
-1.0 |
0.357 |
0 |
0 |
0 |
0.000 |
38 |
|
[SO4]B:1040 |
1 |
1 |
185 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
6709 |
14.3 |
-1.5 |
0.825 |
0 |
0 |
0 |
0.000 |
39 |
|
[RIT]A:100 |
2 |
1 |
898 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
6709 |
10.3 |
-0.3 |
0.521 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
1 |
1 |
6869 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
6869 |
6.6 |
0.3 |
0.841 |
0 |
0 |
0 |
0.000 |
41 |
|
B |
2 |
1 |
6709 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
6869 |
6.3 |
-0.2 |
0.429 |
0 |
0 |
0 |
0.000 |
42 |
|
[DMS]A:991 |
2 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
6709 |
5.3 |
0.0 |
0.396 |
0 |
0 |
0 |
0.000 |
43 |
|
[GOL]B:101 |
2 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6869 |
4.6 |
-0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
|