## |
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 |
149 |
36 |
6747 |
◊ |
A |
x,y,z |
1_555 |
144 |
37 |
6738 |
1433.7 |
-11.3 |
0.273 |
25 |
11 |
0 |
0.426 |
2 |
|
B |
45 |
12 |
6747 |
◊ |
A |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
40 |
12 |
6738 |
407.2 |
-4.0 |
0.289 |
2 |
0 |
0 |
0.089 |
3 |
|
B |
35 |
13 |
6747 |
◊ |
B |
y,x,-z |
7_555 |
35 |
13 |
6747 |
360.5 |
1.5 |
0.762 |
8 |
4 |
0 |
0.087 |
4 |
|
B |
23 |
8 |
6747 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
23 |
8 |
6747 |
217.3 |
-4.6 |
0.132 |
2 |
0 |
0 |
0.092 |
5 |
|
A |
24 |
9 |
6738 |
◊ |
A |
y,x,-z |
7_555 |
24 |
9 |
6738 |
187.8 |
2.0 |
0.818 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
15 |
8 |
6738 |
◊ |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
11 |
4 |
6747 |
139.0 |
-0.9 |
0.460 |
2 |
4 |
0 |
0.023 |
7 |
|
[SO4]A:126 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6738 |
96.0 |
-11.8 |
0.895 |
6 |
0 |
0 |
0.285 |
8 |
|
[EDO]B:129 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
6747 |
93.7 |
2.1 |
0.435 |
0 |
0 |
0 |
0.000 |
9 |
|
[EDO]B:128 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
6747 |
84.7 |
1.9 |
0.435 |
3 |
0 |
0 |
0.000 |
10 |
|
[EDO]B:130 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
6738 |
84.5 |
2.0 |
0.416 |
0 |
0 |
0 |
0.000 |
11 |
|
[SO4]A:125 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
6738 |
72.3 |
-7.4 |
0.810 |
2 |
0 |
0 |
0.164 |
12 |
|
[SO4]A:125 |
5 |
1 |
184 |
◊ |
A |
y,x,-z |
7_555 |
14 |
5 |
6738 |
72.3 |
-7.0 |
0.821 |
3 |
0 |
0 |
0.165 |
13 |
|
[CL]B:127 |
1 |
1 |
125 |
f |
A |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
10 |
4 |
6738 |
69.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.173 |
14 |
|
[EDO]B:130 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
6747 |
62.0 |
1.6 |
0.836 |
0 |
0 |
0 |
0.000 |
15 |
|
[CL]A:127 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
6738 |
59.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.165 |
16 |
|
[SO4]B:125 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
6747 |
53.6 |
-6.2 |
0.620 |
0 |
0 |
0 |
0.208 |
17 |
|
[SO4]B:126 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
2 |
6747 |
53.4 |
-6.7 |
0.780 |
1 |
0 |
0 |
0.479 |
18 |
|
[SO4]B:125 |
5 |
1 |
185 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
12 |
5 |
6747 |
52.8 |
-5.7 |
0.635 |
0 |
0 |
0 |
0.193 |
19 |
|
[EDO]B:129 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6738 |
51.0 |
0.5 |
0.651 |
0 |
0 |
0 |
0.000 |
20 |
|
[SO4]B:125 |
5 |
1 |
185 |
f |
[SO4]B:125 |
-y,-x,-z-1/2 |
8_554 |
5 |
1 |
185 |
50.5 |
-10.9 |
0.993 |
0 |
0 |
0 |
0.183 |
21 |
|
[SO4]A:125 |
5 |
1 |
184 |
f |
[SO4]A:125 |
y,x,-z |
7_555 |
5 |
1 |
184 |
49.8 |
-10.4 |
0.993 |
0 |
0 |
0 |
0.103 |
22 |
|
[SO4]B:126 |
4 |
1 |
185 |
◊ |
B |
y,x,-z |
7_555 |
5 |
2 |
6747 |
47.1 |
-6.5 |
0.604 |
0 |
0 |
0 |
0.433 |
23 |
|
B |
4 |
2 |
6747 |
◊ |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
6 |
1 |
6738 |
47.1 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.014 |
24 |
|
B |
5 |
1 |
6747 |
◊ |
[SO4]A:126 |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
4 |
1 |
186 |
46.6 |
-5.4 |
0.838 |
1 |
0 |
0 |
0.107 |
25 |
|
[EDO]B:128 |
3 |
1 |
183 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
5 |
1 |
6747 |
36.4 |
1.4 |
0.901 |
1 |
0 |
0 |
0.000 |
26 |
|
B |
3 |
1 |
6747 |
◊ |
[CL]A:127 |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
1 |
1 |
125 |
31.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.046 |
27 |
|
[SO4]B:126 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
4 |
1 |
6738 |
26.5 |
-2.6 |
0.930 |
1 |
0 |
0 |
0.055 |
28 |
|
[EDO]B:130 |
2 |
1 |
184 |
f |
[EDO]B:129 |
x,y,z |
1_555 |
1 |
1 |
185 |
22.7 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]B:128 |
2 |
1 |
183 |
f |
[SO4]B:125 |
x,y,z |
1_555 |
4 |
1 |
185 |
21.1 |
-1.5 |
0.999 |
1 |
0 |
0 |
0.066 |
30 |
|
[CL]B:127 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6747 |
19.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.040 |
31 |
|
[EDO]B:128 |
2 |
1 |
183 |
f |
[SO4]B:125 |
-y,-x,-z-1/2 |
8_554 |
3 |
1 |
185 |
19.0 |
-1.6 |
0.996 |
1 |
0 |
0 |
0.068 |
32 |
|
B |
1 |
1 |
6747 |
x |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
6747 |
0.6 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
|