## |
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 |
|
B |
49 |
12 |
3041 |
x |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
45 |
11 |
3041 |
410.7 |
-1.7 |
0.308 |
3 |
0 |
0 |
0.000 |
2 |
|
A |
44 |
12 |
3067 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
50 |
13 |
3067 |
395.7 |
-1.9 |
0.260 |
3 |
0 |
0 |
0.000 |
Average: |
403.2 |
-1.8 |
0.284 |
3 |
0 |
0 |
0.000 |
2 |
3 |
|
B |
34 |
10 |
3041 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
3067 |
305.4 |
-3.0 |
0.151 |
2 |
0 |
0 |
0.007 |
3 |
4 |
|
B |
20 |
6 |
3041 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
18 |
6 |
3067 |
162.9 |
2.1 |
0.663 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
19 |
5 |
3067 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
18 |
4 |
3041 |
140.7 |
1.6 |
0.614 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
12 |
5 |
3067 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
11 |
3 |
3041 |
130.0 |
1.4 |
0.469 |
3 |
0 |
0 |
0.000 |
7 |
|
A |
11 |
3 |
3067 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
11 |
5 |
3041 |
95.5 |
-0.6 |
0.350 |
0 |
0 |
0 |
0.000 |
Average: |
112.8 |
0.4 |
0.409 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
17 |
5 |
3067 |
f |
[SO4]B:101 |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
187 |
90.8 |
-10.7 |
0.595 |
2 |
0 |
0 |
0.043 |
7 |
9 |
|
B |
8 |
2 |
3041 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
4 |
3067 |
82.5 |
-1.4 |
0.199 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[CL]A:104 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
3067 |
64.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.051 |
11 |
|
[CL]B:103 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
3041 |
63.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
64.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.051 |
9 |
12 |
|
[SO4]A:101 |
5 |
1 |
186 |
f |
B |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
3 |
3041 |
61.7 |
-6.9 |
0.883 |
4 |
0 |
0 |
0.049 |
10 |
13 |
|
B |
7 |
2 |
3041 |
◊ |
A |
-x-1/2,-y+1,z-1/2 |
2_464 |
6 |
2 |
3067 |
58.2 |
1.0 |
0.708 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
5 |
1 |
3041 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
2 |
3041 |
56.1 |
0.9 |
0.657 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[SO4]B:101 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
3041 |
54.0 |
-7.1 |
0.737 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
[SO4]A:101 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
3067 |
52.7 |
-5.9 |
0.830 |
2 |
0 |
0 |
0.000 |
14 |
17 |
|
[SO4]A:102 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
3067 |
51.1 |
-5.7 |
0.836 |
3 |
0 |
0 |
0.026 |
15 |
18 |
|
A |
7 |
2 |
3067 |
◊ |
[SO4]A:101 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
186 |
45.4 |
-5.6 |
0.602 |
1 |
0 |
0 |
0.011 |
16 |
19 |
|
A |
4 |
2 |
3067 |
◊ |
[SO4]A:102 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
187 |
41.0 |
-3.6 |
0.917 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
A |
2 |
1 |
3067 |
◊ |
[SO4]A:102 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
187 |
40.7 |
-3.8 |
0.959 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
B |
2 |
1 |
3041 |
◊ |
[SO4]B:101 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
187 |
36.7 |
-2.9 |
0.964 |
2 |
0 |
0 |
0.007 |
19 |
22 |
|
B |
3 |
2 |
3041 |
◊ |
[CL]B:103 |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
125 |
25.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[CL]A:104 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
3067 |
24.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
25.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
B |
5 |
1 |
3041 |
◊ |
[SO4]A:102 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
187 |
25.1 |
-2.8 |
0.827 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[CL]A:104 |
1 |
1 |
125 |
◊ |
[SO4]A:101 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
186 |
11.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.005 |
22 |
26 |
|
[SO4]A:102 |
3 |
1 |
187 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
3041 |
11.4 |
-1.0 |
0.833 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
A |
4 |
1 |
3067 |
◊ |
[CL]B:103 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
125 |
8.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
A |
1 |
1 |
3067 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
3067 |
6.6 |
-0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
B |
1 |
1 |
3041 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
3067 |
5.8 |
0.4 |
0.847 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
B |
1 |
1 |
3041 |
◊ |
[CL]A:104 |
-x-1/2,-y+1,z-1/2 |
2_464 |
1 |
1 |
125 |
5.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
A |
1 |
1 |
3067 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
3067 |
2.0 |
0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
|