| ## |
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 |
88 |
29 |
16701 |
◊ |
A |
x,y,z |
1_555 |
85 |
32 |
16627 |
756.8 |
-5.4 |
0.382 |
8 |
0 |
0 |
0.173 |
| 2 |
2 |
|
A |
72 |
18 |
16627 |
◊ |
B |
x-1,y,z |
1_455 |
80 |
21 |
16701 |
708.3 |
-2.6 |
0.537 |
10 |
4 |
0 |
0.148 |
| 3 |
3 |
|
A |
75 |
24 |
16627 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
56 |
18 |
16701 |
615.4 |
-8.1 |
0.091 |
6 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
56 |
18 |
16627 |
x |
A |
x-1,y,z |
1_455 |
64 |
19 |
16627 |
565.2 |
3.4 |
0.786 |
10 |
3 |
0 |
0.000 |
5 |
|
B |
52 |
17 |
16701 |
x |
B |
x-1,y,z |
1_455 |
45 |
13 |
16701 |
448.5 |
1.0 |
0.700 |
8 |
3 |
0 |
0.000 |
| Average: |
506.9 |
2.2 |
0.743 |
9 |
3 |
0 |
0.000 |
| 5 |
6 |
|
B |
44 |
17 |
16701 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
46 |
13 |
16627 |
368.8 |
-2.4 |
0.432 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
35 |
9 |
16627 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
38 |
11 |
16627 |
335.1 |
-5.2 |
0.144 |
4 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
30 |
8 |
16701 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
30 |
9 |
16701 |
284.1 |
-1.5 |
0.506 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[DMS]A:1103 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
16627 |
137.3 |
2.5 |
0.430 |
2 |
0 |
0 |
0.000 |
10 |
|
[DMS]B:1103 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
30 |
9 |
16701 |
135.7 |
2.5 |
0.456 |
2 |
0 |
0 |
0.000 |
| Average: |
136.5 |
2.5 |
0.443 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]B:1102 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
16701 |
108.4 |
3.6 |
0.491 |
4 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[SO4]B:1101 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
16701 |
100.4 |
-15.7 |
0.721 |
4 |
0 |
0 |
0.338 |
| 11 |
13 |
|
[SO4]A:1101 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
16627 |
99.2 |
-15.7 |
0.709 |
3 |
0 |
0 |
0.330 |
| 12 |
14 |
|
[SO4]A:1102 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16627 |
67.8 |
-6.4 |
0.952 |
3 |
0 |
0 |
0.149 |
| 13 |
15 |
|
A |
8 |
3 |
16627 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
5 |
2 |
16701 |
57.8 |
-0.2 |
0.500 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[SO4]A:1102 |
4 |
1 |
184 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
16627 |
57.6 |
-6.5 |
0.857 |
1 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[SO4]A:1102 |
4 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
16701 |
55.2 |
-6.3 |
0.877 |
2 |
0 |
0 |
0.139 |
| 16 |
18 |
|
[SO4]B:1101 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16627 |
31.1 |
-3.6 |
0.915 |
1 |
0 |
0 |
0.078 |
| 17 |
19 |
|
[SO4]A:1101 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
16701 |
12.1 |
-1.5 |
0.668 |
0 |
0 |
0 |
0.029 |
|