| ## |
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 |
|
C |
87 |
32 |
9902 |
◊ |
B |
x,y,z |
1_555 |
99 |
23 |
9738 |
832.4 |
-2.1 |
0.594 |
7 |
5 |
0 |
0.000 |
2 |
|
A |
95 |
24 |
9888 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
78 |
28 |
9738 |
786.1 |
-2.9 |
0.526 |
6 |
4 |
0 |
0.000 |
3 |
|
C |
94 |
24 |
9902 |
◊ |
A |
x,y,z |
1_555 |
85 |
31 |
9888 |
779.2 |
-3.6 |
0.480 |
6 |
3 |
0 |
0.000 |
| Average: |
799.2 |
-2.9 |
0.533 |
6 |
4 |
0 |
0.000 |
| 2 |
4 |
|
A |
40 |
17 |
9888 |
◊ |
B |
-x+1,-x+y,-z+2/3 |
6_655 |
37 |
11 |
9738 |
326.6 |
-1.9 |
0.448 |
1 |
1 |
0 |
0.000 |
| 3 |
5 |
|
C |
33 |
8 |
9902 |
◊ |
A |
-x+1,-x+y,-z+2/3 |
6_655 |
27 |
9 |
9888 |
301.4 |
-1.0 |
0.445 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
C |
24 |
8 |
9902 |
x |
C |
-x+1,-x+y,-z+2/3 |
6_655 |
27 |
9 |
9902 |
233.1 |
1.2 |
0.735 |
4 |
2 |
0 |
0.000 |
| 5 |
7 |
|
C |
10 |
3 |
9902 |
◊ |
B |
-x+1,-x+y,-z+2/3 |
6_655 |
13 |
4 |
9738 |
114.8 |
0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]C:307 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
9902 |
99.8 |
2.6 |
0.426 |
2 |
0 |
0 |
0.000 |
9 |
|
[EDO]B:302 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
9738 |
98.3 |
2.5 |
0.419 |
3 |
0 |
0 |
0.000 |
| Average: |
99.1 |
2.5 |
0.422 |
3 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[EDO]A:305 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
9888 |
99.3 |
2.4 |
0.413 |
3 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9888 |
97.6 |
-13.9 |
0.744 |
4 |
0 |
0 |
0.051 |
| 9 |
12 |
|
C |
14 |
4 |
9902 |
◊ |
B |
y,x,-z+1 |
4_556 |
9 |
3 |
9738 |
94.4 |
0.6 |
0.710 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[EDO]C:302 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
15 |
9 |
9902 |
93.1 |
2.0 |
0.384 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
9 |
9888 |
91.6 |
2.4 |
0.387 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
9902 |
82.0 |
-12.0 |
0.801 |
5 |
0 |
0 |
0.154 |
| 13 |
16 |
|
[SO4]A:301 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9888 |
80.9 |
-11.2 |
0.847 |
4 |
0 |
0 |
0.042 |
| 14 |
17 |
|
[SO4]B:301 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
9738 |
80.8 |
-11.4 |
0.836 |
4 |
0 |
0 |
0.109 |
| 15 |
18 |
|
[EDO]C:306 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
9902 |
73.3 |
1.2 |
0.194 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]C:304 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
9738 |
72.1 |
1.4 |
0.171 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]C:305 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
9888 |
70.9 |
1.6 |
0.229 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]C:304 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
9902 |
67.6 |
1.4 |
0.731 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[EDO]C:306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9888 |
56.4 |
1.2 |
0.758 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[EDO]C:305 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
9902 |
56.1 |
1.3 |
0.246 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]A:305 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
9902 |
51.7 |
0.9 |
0.530 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
A |
6 |
3 |
9888 |
f |
[EDO]B:302 |
-y+1,x-y+1,z-1/3 |
2_664 |
4 |
1 |
185 |
51.3 |
0.7 |
0.503 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]C:307 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
9738 |
48.4 |
0.9 |
0.451 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[EDO]C:303 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
9902 |
48.3 |
1.9 |
0.929 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
C |
5 |
1 |
9902 |
◊ |
[SO4]C:301 |
-x+1,-x+y,-z+2/3 |
6_655 |
4 |
1 |
185 |
45.5 |
-5.1 |
0.843 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[SO4]A:302 |
4 |
1 |
186 |
◊ |
B |
-x+1,-x+y,-z+2/3 |
6_655 |
2 |
1 |
9738 |
36.3 |
-3.7 |
0.925 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[EDO]C:306 |
3 |
1 |
185 |
◊ |
[EDO]C:305 |
x,y,z |
1_555 |
3 |
1 |
186 |
33.4 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[SO4]A:303 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
9888 |
32.3 |
-3.7 |
0.741 |
0 |
0 |
0 |
0.012 |
| 29 |
32 |
|
[EDO]A:304 |
2 |
1 |
185 |
f |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
3 |
1 |
9738 |
26.2 |
0.7 |
0.845 |
1 |
0 |
0 |
0.000 |
| 30 |
33 |
|
C |
1 |
1 |
9902 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
2 |
1 |
9738 |
11.9 |
0.6 |
0.854 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
1 |
1 |
9738 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9888 |
7.2 |
0.4 |
0.861 |
0 |
0 |
0 |
0.000 |
| Average: |
9.6 |
0.5 |
0.858 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[EDO]C:302 |
1 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
9888 |
5.5 |
0.2 |
0.791 |
0 |
0 |
0 |
0.000 |
|