| ## |
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 |
80 |
23 |
7789 |
◊ |
B |
x,y,z |
1_555 |
73 |
22 |
7572 |
724.1 |
-13.5 |
0.167 |
2 |
0 |
0 |
1.000 |
2 |
|
E |
73 |
21 |
7621 |
◊ |
A |
x,y,z |
1_555 |
72 |
21 |
7608 |
705.8 |
-13.3 |
0.134 |
2 |
0 |
0 |
1.000 |
3 |
|
F |
71 |
20 |
7496 |
◊ |
C |
x,y,z |
1_555 |
69 |
19 |
7494 |
702.8 |
-13.0 |
0.153 |
2 |
0 |
0 |
1.000 |
| Average: |
710.9 |
-13.3 |
0.152 |
2 |
0 |
0 |
1.000 |
| 2 |
4 |
|
C |
59 |
20 |
7494 |
◊ |
B |
x,y,z |
1_555 |
56 |
17 |
7572 |
565.9 |
-3.7 |
0.654 |
3 |
2 |
0 |
0.041 |
| 3 |
5 |
|
F |
46 |
12 |
7496 |
◊ |
A |
x,y,z-1 |
1_554 |
54 |
22 |
7608 |
493.5 |
-9.5 |
0.125 |
0 |
0 |
0 |
0.100 |
| 4 |
6 |
|
E |
38 |
13 |
7621 |
◊ |
D |
-x,y,-z |
2_555 |
50 |
14 |
7789 |
459.0 |
-8.6 |
0.133 |
2 |
0 |
0 |
0.073 |
| 5 |
7 |
|
D |
39 |
13 |
7789 |
◊ |
E |
x,y,z-1 |
1_554 |
34 |
12 |
7621 |
357.2 |
-4.7 |
0.402 |
1 |
0 |
0 |
0.039 |
| 6 |
8 |
|
C |
34 |
12 |
7494 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
39 |
12 |
7608 |
351.3 |
-4.0 |
0.449 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
E |
41 |
11 |
7621 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
7572 |
344.1 |
-6.4 |
0.189 |
1 |
0 |
0 |
0.053 |
| 8 |
10 |
|
C |
25 |
9 |
7494 |
◊ |
A |
x,y,z |
1_555 |
33 |
14 |
7608 |
255.9 |
-2.2 |
0.467 |
0 |
1 |
0 |
0.018 |
| 9 |
11 |
|
E |
25 |
8 |
7621 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
24 |
9 |
7608 |
239.8 |
-1.7 |
0.611 |
2 |
3 |
0 |
0.000 |
| 10 |
12 |
|
D |
24 |
11 |
7789 |
◊ |
D |
-x,y,-z-1 |
2_554 |
24 |
11 |
7789 |
209.2 |
-1.3 |
0.665 |
0 |
0 |
0 |
0.005 |
| 11 |
13 |
|
C |
13 |
6 |
7494 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
26 |
7 |
7789 |
200.1 |
0.9 |
0.788 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
C |
19 |
8 |
7494 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
21 |
8 |
7572 |
185.3 |
-0.5 |
0.702 |
1 |
1 |
0 |
0.000 |
| 13 |
15 |
|
F |
19 |
7 |
7496 |
◊ |
F |
-x+1,y,-z |
2_655 |
19 |
7 |
7496 |
143.0 |
-2.9 |
0.403 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
D |
16 |
5 |
7789 |
◊ |
A |
x-1/2,y-1/2,z-1 |
3_444 |
14 |
5 |
7608 |
142.8 |
0.8 |
0.822 |
1 |
2 |
0 |
0.000 |
| 15 |
17 |
|
B |
15 |
6 |
7572 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
18 |
4 |
7496 |
140.6 |
-1.1 |
0.632 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
B |
16 |
6 |
7572 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
7608 |
127.9 |
-0.6 |
0.670 |
0 |
0 |
0 |
0.005 |
| 17 |
19 |
|
F |
12 |
4 |
7496 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
6 |
7572 |
113.2 |
-0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[SO4]D:203 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
7789 |
105.6 |
-15.6 |
0.643 |
2 |
0 |
0 |
0.368 |
| 19 |
21 |
|
[SO4]C:203 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
7494 |
104.4 |
-13.7 |
0.848 |
2 |
0 |
0 |
0.356 |
| 20 |
22 |
|
D |
8 |
3 |
7789 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
13 |
5 |
7494 |
93.3 |
1.0 |
0.842 |
0 |
1 |
0 |
0.000 |
| 21 |
23 |
|
B |
11 |
2 |
7572 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
5 |
7494 |
88.7 |
-1.2 |
0.518 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[SO4]B:203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7572 |
73.0 |
-10.7 |
0.801 |
1 |
0 |
0 |
0.262 |
25 |
|
[SO4]C:204 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
7494 |
71.0 |
-10.3 |
0.801 |
1 |
0 |
0 |
0.262 |
| Average: |
72.0 |
-10.5 |
0.801 |
1 |
0 |
0 |
0.262 |
| 23 |
26 |
|
E |
9 |
4 |
7621 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
9 |
4 |
7496 |
66.2 |
0.4 |
0.790 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
F |
6 |
2 |
7496 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
7789 |
61.4 |
-1.6 |
0.269 |
0 |
0 |
0 |
0.013 |
| 25 |
28 |
|
F |
4 |
3 |
7496 |
◊ |
C |
-x+1,y,-z |
2_655 |
8 |
5 |
7494 |
32.6 |
0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[SO4]C:204 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7608 |
27.5 |
-2.8 |
0.879 |
0 |
0 |
0 |
0.022 |
| 27 |
30 |
|
A |
4 |
3 |
7608 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
7789 |
27.0 |
1.1 |
0.874 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[SO4]C:204 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7572 |
21.6 |
-1.2 |
0.975 |
0 |
0 |
0 |
0.009 |
| 29 |
32 |
|
[SO4]D:203 |
1 |
1 |
184 |
f |
[CU]D:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.060 |
| 30 |
33 |
|
[SO4]B:203 |
1 |
1 |
185 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
7496 |
9.3 |
-0.8 |
0.844 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[SO4]C:203 |
2 |
1 |
185 |
f |
[CU]C:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.043 |
| 32 |
35 |
|
D |
2 |
1 |
7789 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
7608 |
7.7 |
0.4 |
0.837 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[SO4]C:203 |
1 |
1 |
185 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
7789 |
5.9 |
-0.8 |
0.681 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
E |
2 |
1 |
7621 |
x |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
7621 |
5.8 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
F |
1 |
1 |
7496 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7572 |
0.8 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
|