## |
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 |
67 |
18 |
5116 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
70 |
18 |
5085 |
625.5 |
-10.0 |
0.123 |
4 |
0 |
0 |
0.891 |
2 |
|
A |
70 |
18 |
5112 |
◊ |
A |
-x,y,-z+1 |
2_556 |
70 |
18 |
5112 |
616.4 |
-10.8 |
0.091 |
4 |
0 |
0 |
0.891 |
Average: |
621.0 |
-10.4 |
0.107 |
4 |
0 |
0 |
0.891 |
2 |
3 |
|
B |
45 |
12 |
5116 |
◊ |
A |
x,y,z |
1_555 |
43 |
10 |
5112 |
359.6 |
0.8 |
0.806 |
9 |
0 |
0 |
0.000 |
4 |
|
C |
41 |
11 |
5085 |
◊ |
C |
-x,y,-z |
2_555 |
41 |
11 |
5085 |
316.0 |
0.5 |
0.803 |
8 |
0 |
0 |
0.000 |
Average: |
337.8 |
0.7 |
0.805 |
9 |
0 |
0 |
0.000 |
3 |
5 |
|
[12P]B:203 |
27 |
1 |
748 |
◊ |
B |
x,y,z |
1_555 |
45 |
12 |
5116 |
319.6 |
-1.9 |
0.574 |
4 |
0 |
0 |
0.000 |
6 |
|
[12P]C:201 |
25 |
1 |
695 |
◊ |
C |
-x,y,-z |
2_555 |
44 |
12 |
5085 |
248.2 |
-1.7 |
0.521 |
3 |
0 |
0 |
0.000 |
Average: |
283.9 |
-1.8 |
0.547 |
4 |
0 |
0 |
0.000 |
4 |
7 |
|
[12P]B:203 |
21 |
1 |
748 |
◊ |
A |
x,y,z |
1_555 |
48 |
13 |
5112 |
319.4 |
0.2 |
0.703 |
3 |
0 |
0 |
0.000 |
8 |
|
[12P]C:201 |
21 |
1 |
695 |
◊ |
C |
x,y,z |
1_555 |
44 |
11 |
5085 |
222.2 |
-0.6 |
0.605 |
2 |
0 |
0 |
0.000 |
Average: |
270.8 |
-0.2 |
0.654 |
3 |
0 |
0 |
0.000 |
5 |
9 |
|
B |
20 |
7 |
5116 |
◊ |
A |
-x,y,-z |
2_555 |
25 |
6 |
5112 |
213.0 |
1.1 |
0.807 |
3 |
0 |
0 |
0.000 |
10 |
|
C |
21 |
7 |
5085 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
5116 |
210.9 |
0.6 |
0.760 |
1 |
0 |
0 |
0.000 |
11 |
|
C |
23 |
6 |
5085 |
◊ |
A |
-x,y,-z |
2_555 |
20 |
7 |
5112 |
206.7 |
0.6 |
0.759 |
2 |
0 |
0 |
0.000 |
Average: |
210.2 |
0.8 |
0.775 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
[12P]C:201 |
26 |
1 |
695 |
f |
[12P]C:201 |
-x,y,-z |
2_555 |
26 |
1 |
695 |
192.3 |
-4.1 |
0.208 |
0 |
0 |
0 |
0.100 |
7 |
13 |
|
[SO4]B:204 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
5116 |
72.1 |
-10.0 |
0.857 |
3 |
0 |
0 |
0.314 |
8 |
14 |
|
[ACT]B:202 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
5116 |
72.0 |
-0.4 |
0.635 |
1 |
0 |
0 |
0.100 |
9 |
15 |
|
[ACT]B:201 |
4 |
1 |
181 |
f |
A |
-x,y,-z |
2_555 |
12 |
5 |
5112 |
71.2 |
-0.3 |
0.711 |
1 |
0 |
0 |
0.109 |
10 |
16 |
|
[ACT]A:201 |
3 |
1 |
182 |
f |
C |
-x,y,-z |
2_555 |
13 |
6 |
5085 |
70.9 |
-0.2 |
0.710 |
1 |
0 |
0 |
0.019 |
11 |
17 |
|
[SO4]B:204 |
5 |
1 |
185 |
f |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
12 |
4 |
5085 |
70.2 |
-10.0 |
0.828 |
3 |
0 |
0 |
0.315 |
12 |
18 |
|
[SO4]A:202 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
5112 |
58.1 |
-7.6 |
0.816 |
3 |
0 |
0 |
0.298 |
13 |
19 |
|
[SO4]A:202 |
5 |
1 |
186 |
◊ |
A |
-x,y,-z+1 |
2_556 |
11 |
4 |
5112 |
54.7 |
-7.1 |
0.828 |
3 |
0 |
0 |
0.283 |
14 |
20 |
|
A |
6 |
2 |
5112 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
6 |
3 |
5085 |
54.5 |
-0.2 |
0.576 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
5 |
3 |
5116 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
2 |
5085 |
53.5 |
-0.2 |
0.567 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
6 |
2 |
5116 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
6 |
3 |
5112 |
53.0 |
-0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
Average: |
53.7 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
[SO4]A:202 |
-x,y,-z+1 |
2_556 |
5 |
1 |
186 |
51.2 |
-10.9 |
0.993 |
0 |
0 |
0 |
0.182 |
16 |
24 |
|
[ACT]A:201 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
5112 |
46.0 |
0.9 |
0.875 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[ACT]B:202 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
5085 |
45.7 |
1.1 |
0.877 |
2 |
0 |
0 |
0.000 |
18 |
26 |
|
[ACT]B:201 |
3 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
5116 |
41.5 |
1.3 |
0.914 |
1 |
0 |
0 |
0.000 |
|