| ## |
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 |
|
D |
70 |
19 |
13038 |
◊ |
A |
x,y,z |
1_555 |
67 |
17 |
13205 |
598.2 |
-8.1 |
0.230 |
8 |
0 |
0 |
0.062 |
2 |
|
C |
64 |
17 |
12856 |
◊ |
B |
x,y,z |
1_555 |
62 |
17 |
13430 |
594.0 |
-8.1 |
0.168 |
11 |
0 |
0 |
0.062 |
| Average: |
596.1 |
-8.1 |
0.199 |
10 |
0 |
0 |
0.062 |
| 2 |
3 |
|
B |
67 |
21 |
13430 |
◊ |
A |
x,y,z |
1_555 |
64 |
20 |
13205 |
597.0 |
-9.4 |
0.140 |
2 |
0 |
0 |
0.026 |
| 3 |
4 |
|
A |
47 |
14 |
13205 |
◊ |
B |
x-1,y,z |
1_455 |
54 |
15 |
13430 |
470.2 |
2.0 |
0.855 |
9 |
3 |
0 |
0.000 |
| 4 |
5 |
|
A |
34 |
9 |
13205 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
10 |
12856 |
332.6 |
-6.4 |
0.114 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
37 |
9 |
13430 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
30 |
9 |
13038 |
307.2 |
-4.4 |
0.245 |
5 |
0 |
0 |
0.000 |
| 6 |
7 |
|
D |
29 |
10 |
13038 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
12856 |
293.5 |
-3.0 |
0.348 |
1 |
3 |
0 |
0.010 |
| 7 |
8 |
|
C |
25 |
7 |
12856 |
◊ |
A |
x,y,z |
1_555 |
32 |
13 |
13205 |
283.8 |
-4.6 |
0.188 |
1 |
0 |
0 |
0.028 |
9 |
|
D |
25 |
6 |
13038 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
13430 |
270.2 |
-4.7 |
0.162 |
3 |
0 |
0 |
0.028 |
| Average: |
277.0 |
-4.6 |
0.175 |
2 |
0 |
0 |
0.028 |
| 8 |
10 |
|
A |
24 |
9 |
13205 |
◊ |
D |
x,y-1,z |
1_545 |
42 |
13 |
13038 |
276.3 |
-1.4 |
0.614 |
5 |
2 |
0 |
0.000 |
| 9 |
11 |
|
B |
18 |
5 |
13430 |
◊ |
D |
x,y-1,z |
1_545 |
32 |
13 |
13038 |
219.6 |
-0.2 |
0.700 |
4 |
1 |
0 |
0.000 |
| 10 |
12 |
|
A |
23 |
8 |
13205 |
◊ |
C |
x-1,y,z |
1_455 |
24 |
9 |
12856 |
206.8 |
-1.6 |
0.382 |
1 |
4 |
0 |
0.012 |
| 11 |
13 |
|
[K]C:602 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
12856 |
108.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.470 |
| 12 |
14 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
13430 |
81.4 |
-12.7 |
0.734 |
4 |
0 |
0 |
0.036 |
| 13 |
15 |
|
[SO4]D:603 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
13038 |
73.6 |
-9.9 |
0.868 |
2 |
0 |
0 |
0.027 |
| 14 |
16 |
|
[SO4]C:603 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
12856 |
73.2 |
-9.8 |
0.852 |
2 |
0 |
0 |
0.046 |
| 15 |
17 |
|
[SO4]A:604 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
13205 |
71.1 |
-10.4 |
0.809 |
2 |
0 |
0 |
0.049 |
| 16 |
18 |
|
[SO4]D:604 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
13038 |
67.3 |
-9.6 |
0.619 |
1 |
0 |
0 |
0.025 |
| 17 |
19 |
|
[SO4]A:603 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
13205 |
66.2 |
-9.5 |
0.720 |
2 |
0 |
0 |
0.045 |
| 18 |
20 |
|
[SO4]B:605 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
13430 |
65.8 |
-8.9 |
0.873 |
3 |
0 |
0 |
0.026 |
| 19 |
21 |
|
[SO4]B:604 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13430 |
64.1 |
-7.9 |
0.754 |
2 |
0 |
0 |
0.022 |
| 20 |
22 |
|
[SO4]A:603 |
4 |
1 |
186 |
f |
C |
x-1,y,z |
1_455 |
7 |
3 |
12856 |
62.7 |
-9.5 |
0.552 |
2 |
0 |
0 |
0.045 |
| 21 |
23 |
|
[SO4]B:604 |
5 |
1 |
185 |
◊ |
D |
x,y-1,z |
1_545 |
8 |
3 |
13038 |
62.2 |
-7.7 |
0.751 |
1 |
0 |
0 |
0.000 |
| 22 |
24 |
|
A |
8 |
4 |
13205 |
◊ |
[SO4]B:605 |
x-1,y,z |
1_455 |
5 |
1 |
184 |
60.2 |
-5.9 |
0.980 |
4 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[ZN]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
13430 |
52.8 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.382 |
26 |
|
[ZN]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
13205 |
52.3 |
-38.0 |
0.000 |
0 |
0 |
0 |
0.382 |
27 |
|
[ZN]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
13038 |
52.0 |
-37.9 |
0.000 |
0 |
0 |
0 |
0.382 |
28 |
|
[ZN]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
7 |
12856 |
52.0 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.382 |
| Average: |
52.3 |
-38.0 |
0.000 |
0 |
0 |
0 |
0.382 |
| 24 |
29 |
|
[SO4]C:603 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13038 |
12.0 |
-0.9 |
0.929 |
0 |
0 |
0 |
0.002 |
| 25 |
30 |
|
C |
1 |
1 |
12856 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
12856 |
6.7 |
-0.2 |
0.279 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[SO4]D:603 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12856 |
0.7 |
0.0 |
0.847 |
0 |
0 |
0 |
0.000 |
|