| ## |
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 |
96 |
27 |
11496 |
◊ |
A |
x,-y+1,-z |
4_565 |
92 |
26 |
11442 |
910.5 |
3.3 |
0.728 |
12 |
9 |
0 |
0.000 |
| 2 |
2 |
|
B |
67 |
18 |
11496 |
◊ |
A |
x,y,z |
1_555 |
71 |
20 |
11442 |
644.7 |
3.0 |
0.732 |
9 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
50 |
13 |
11496 |
◊ |
B |
x,-y+1,-z |
4_565 |
50 |
13 |
11496 |
455.6 |
-5.8 |
0.118 |
2 |
0 |
0 |
0.000 |
4 |
|
A |
51 |
13 |
11442 |
◊ |
A |
x,-y+1,-z |
4_565 |
51 |
13 |
11442 |
454.5 |
-5.5 |
0.132 |
0 |
0 |
0 |
0.000 |
| Average: |
455.0 |
-5.6 |
0.125 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[ADP]A:308 |
25 |
1 |
560 |
f |
A |
x,y,z |
1_555 |
39 |
16 |
11442 |
295.6 |
-5.6 |
0.371 |
11 |
0 |
0 |
0.038 |
6 |
|
[ADP]B:308 |
23 |
1 |
565 |
f |
B |
x,y,z |
1_555 |
39 |
16 |
11496 |
288.3 |
-5.3 |
0.427 |
12 |
0 |
0 |
0.038 |
| Average: |
292.0 |
-5.4 |
0.399 |
12 |
0 |
0 |
0.038 |
| 5 |
7 |
|
B |
24 |
9 |
11496 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
27 |
8 |
11442 |
208.6 |
-1.0 |
0.354 |
4 |
1 |
0 |
0.000 |
| 6 |
8 |
|
A |
15 |
5 |
11442 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
15 |
5 |
11442 |
166.2 |
7.6 |
0.992 |
4 |
4 |
0 |
0.000 |
| 7 |
9 |
|
B |
20 |
7 |
11496 |
◊ |
B |
-x+1,y,-z-1/2 |
3_654 |
20 |
7 |
11496 |
158.8 |
0.8 |
0.653 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
18 |
5 |
11442 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
12 |
5 |
11496 |
154.6 |
-0.3 |
0.492 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
A |
14 |
6 |
11442 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
14 |
4 |
11496 |
132.4 |
0.9 |
0.637 |
2 |
1 |
0 |
0.000 |
| 10 |
12 |
|
[SO4]B:2 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11496 |
95.4 |
-15.5 |
0.558 |
4 |
0 |
0 |
0.038 |
| 11 |
13 |
|
[SO4]A:3 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
11442 |
95.0 |
-15.2 |
0.567 |
4 |
0 |
0 |
0.062 |
| 12 |
14 |
|
[CL]B:1 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11496 |
64.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.020 |
| 13 |
15 |
|
[SO4]B:4 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11496 |
56.9 |
-7.1 |
0.840 |
2 |
0 |
0 |
0.018 |
| 14 |
16 |
|
[SO4]B:4 |
4 |
1 |
184 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
6 |
2 |
11442 |
41.1 |
-5.1 |
0.596 |
1 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[CL]B:1 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
11442 |
32.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[SO4]B:4 |
4 |
1 |
184 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
3 |
1 |
11496 |
27.0 |
-3.0 |
0.678 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[SO4]B:2 |
3 |
1 |
185 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
2 |
11442 |
15.5 |
-1.2 |
0.876 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
B |
1 |
1 |
11496 |
x |
B |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
2 |
1 |
11496 |
9.3 |
0.3 |
0.658 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
A |
1 |
1 |
11442 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
2 |
1 |
11496 |
8.5 |
0.2 |
0.578 |
0 |
0 |
0 |
0.000 |
|