| ## |
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 |
108 |
31 |
6117 |
◊ |
A |
x,y,z |
1_555 |
129 |
33 |
8286 |
1167.6 |
-19.3 |
0.150 |
18 |
3 |
0 |
0.304 |
2 |
|
D |
104 |
30 |
5808 |
◊ |
B |
x,y,z |
1_555 |
128 |
33 |
7947 |
1153.1 |
-20.0 |
0.178 |
18 |
3 |
0 |
0.304 |
| Average: |
1160.3 |
-19.7 |
0.164 |
18 |
3 |
0 |
0.304 |
| 2 |
3 |
|
B |
93 |
25 |
7947 |
◊ |
A |
x,y,z |
1_555 |
88 |
23 |
8286 |
975.2 |
-19.5 |
0.064 |
6 |
0 |
0 |
0.197 |
| 3 |
4 |
|
A |
69 |
20 |
8286 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
62 |
13 |
6117 |
615.3 |
-4.2 |
0.611 |
8 |
11 |
0 |
0.075 |
| 4 |
5 |
|
B |
46 |
12 |
7947 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
37 |
11 |
6117 |
365.1 |
-2.1 |
0.738 |
5 |
2 |
0 |
0.043 |
6 |
|
D |
34 |
11 |
5808 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
45 |
12 |
8286 |
349.5 |
-2.3 |
0.648 |
6 |
2 |
0 |
0.043 |
| Average: |
357.3 |
-2.2 |
0.693 |
6 |
2 |
0 |
0.043 |
| 5 |
7 |
|
D |
36 |
7 |
5808 |
◊ |
B |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
45 |
10 |
7947 |
343.6 |
-3.5 |
0.561 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
27 |
9 |
7947 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
30 |
12 |
6117 |
264.2 |
-3.8 |
0.414 |
2 |
0 |
0 |
0.037 |
| 7 |
9 |
|
A |
14 |
2 |
8286 |
◊ |
A |
x,-y+1,-z |
4_565 |
14 |
2 |
8286 |
138.4 |
2.1 |
0.900 |
4 |
8 |
0 |
0.000 |
| 8 |
10 |
|
D |
16 |
8 |
5808 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
15 |
8 |
6117 |
133.5 |
-0.3 |
0.709 |
0 |
0 |
0 |
0.002 |
| 9 |
11 |
|
[SO4]A:202 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8286 |
73.1 |
-10.7 |
0.785 |
2 |
0 |
0 |
0.126 |
| 10 |
12 |
|
[SO4]B:203 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
7947 |
68.4 |
-8.3 |
0.965 |
5 |
0 |
0 |
0.106 |
| 11 |
13 |
|
D |
10 |
4 |
5808 |
f |
[SO4]C:101 |
x-1/2,y-1/2,z |
5_445 |
5 |
1 |
185 |
67.5 |
-7.9 |
0.921 |
2 |
0 |
0 |
0.088 |
| 12 |
14 |
|
D |
6 |
2 |
5808 |
◊ |
A |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
9 |
4 |
8286 |
61.8 |
-0.9 |
0.492 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[SO4]C:101 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
6117 |
57.9 |
-6.5 |
0.930 |
2 |
0 |
0 |
0.048 |
| 14 |
16 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8286 |
51.7 |
-6.6 |
0.831 |
1 |
0 |
0 |
0.077 |
| 15 |
17 |
|
[SO4]B:202 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
5808 |
50.1 |
-5.8 |
0.841 |
2 |
0 |
0 |
0.068 |
| 16 |
18 |
|
D |
6 |
2 |
5808 |
◊ |
[SO4]A:203 |
x-1/2,y-1/2,z |
5_445 |
4 |
1 |
185 |
41.1 |
-5.5 |
0.769 |
0 |
0 |
0 |
0.024 |
| 17 |
19 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7947 |
40.9 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.543 |
20 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8286 |
40.8 |
-30.4 |
0.000 |
0 |
0 |
0 |
0.543 |
| Average: |
40.8 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.543 |
| 18 |
21 |
|
[SO4]B:202 |
3 |
1 |
186 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
3 |
2 |
8286 |
39.1 |
-3.6 |
0.974 |
2 |
0 |
0 |
0.019 |
| 19 |
22 |
|
[SO4]A:203 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
6117 |
38.1 |
-3.3 |
0.965 |
2 |
0 |
0 |
0.046 |
| 20 |
23 |
|
[SO4]B:202 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7947 |
37.8 |
-3.4 |
0.985 |
2 |
0 |
0 |
0.043 |
| 21 |
24 |
|
[SO4]B:202 |
5 |
1 |
186 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
4 |
2 |
6117 |
37.4 |
-4.1 |
0.846 |
1 |
0 |
0 |
0.029 |
| 22 |
25 |
|
B |
7 |
2 |
7947 |
◊ |
[SO4]A:203 |
x-1/2,y-1/2,z |
5_445 |
4 |
1 |
185 |
28.3 |
-2.7 |
0.926 |
1 |
0 |
0 |
0.014 |
| 23 |
26 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6117 |
22.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.100 |
27 |
|
[ZN]B:201 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
5808 |
22.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
22.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 24 |
28 |
|
B |
2 |
2 |
7947 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
2 |
2 |
8286 |
20.3 |
0.6 |
0.884 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[SO4]C:101 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8286 |
20.2 |
-2.0 |
0.946 |
0 |
0 |
0 |
0.009 |
| 26 |
30 |
|
[SO4]B:202 |
3 |
1 |
186 |
◊ |
[SO4]A:203 |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
185 |
17.6 |
-4.1 |
0.992 |
0 |
0 |
0 |
0.018 |
| 27 |
31 |
|
[SO4]A:202 |
1 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
6117 |
9.6 |
-1.2 |
0.712 |
0 |
0 |
0 |
0.013 |
| 28 |
32 |
|
D |
2 |
1 |
5808 |
◊ |
D |
-x-1,y,-z+1/2 |
3_455 |
2 |
1 |
5808 |
7.4 |
-0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
B |
1 |
1 |
7947 |
◊ |
[SO4]C:101 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
185 |
6.4 |
-0.7 |
0.812 |
0 |
0 |
0 |
0.007 |
| 30 |
34 |
|
B |
1 |
1 |
7947 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
8286 |
3.0 |
-0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
|