| ## |
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 |
163 |
42 |
8672 |
◊ |
A |
x,y,z |
1_555 |
161 |
41 |
8733 |
1601.5 |
-15.1 |
0.611 |
25 |
6 |
0 |
0.308 |
| 2 |
2 |
|
B |
100 |
31 |
8672 |
◊ |
A |
-y,x,z |
3_555 |
103 |
31 |
8733 |
1019.7 |
-17.9 |
0.155 |
14 |
3 |
0 |
0.257 |
| 3 |
3 |
|
A |
69 |
18 |
8733 |
x |
A |
-y,x,z |
3_555 |
68 |
18 |
8733 |
640.1 |
-5.2 |
0.636 |
7 |
3 |
0 |
0.191 |
4 |
|
B |
66 |
19 |
8672 |
x |
B |
-y,x,z |
3_555 |
63 |
17 |
8672 |
623.2 |
-5.4 |
0.589 |
7 |
4 |
0 |
0.191 |
| Average: |
631.7 |
-5.3 |
0.613 |
7 |
4 |
0 |
0.191 |
| 4 |
5 |
|
A |
30 |
11 |
8733 |
◊ |
A |
y+1/2,x-1/2,-z-1/2 |
15_544 |
33 |
11 |
8733 |
344.9 |
-4.4 |
0.407 |
4 |
6 |
0 |
0.039 |
| 5 |
6 |
|
B |
12 |
6 |
8672 |
◊ |
B |
y,x,-z |
7_555 |
12 |
6 |
8672 |
139.6 |
-4.0 |
0.098 |
0 |
0 |
0 |
0.034 |
| 6 |
7 |
|
[SO4]A:203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
8733 |
107.4 |
-14.6 |
0.892 |
4 |
0 |
0 |
0.357 |
| 7 |
8 |
|
B |
10 |
3 |
8672 |
◊ |
B |
-x,y,-z |
5_555 |
10 |
3 |
8672 |
105.9 |
-2.7 |
0.192 |
0 |
0 |
0 |
0.028 |
| 8 |
9 |
|
[SO4]B:203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
8672 |
98.2 |
-14.5 |
0.908 |
6 |
0 |
0 |
0.352 |
| 9 |
10 |
|
[EDO]B:201 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8672 |
85.2 |
2.2 |
0.285 |
4 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[SO4]B:204 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8672 |
78.1 |
-10.4 |
0.917 |
3 |
0 |
0 |
0.241 |
| 11 |
12 |
|
[ACT]A:201 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8733 |
78.0 |
0.7 |
0.837 |
4 |
0 |
0 |
0.024 |
| 12 |
13 |
|
[SO4]B:205 |
5 |
1 |
185 |
f |
[SO4]B:205 |
-x,y,-z |
5_555 |
5 |
1 |
185 |
75.1 |
-16.7 |
0.993 |
0 |
0 |
0 |
0.172 |
| 13 |
14 |
|
[EDO]B:202 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
8672 |
74.8 |
1.9 |
0.844 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8733 |
67.5 |
-9.6 |
0.825 |
5 |
0 |
0 |
0.256 |
| 15 |
16 |
|
B |
6 |
1 |
8672 |
f |
[EDO]B:202 |
-y,x,z |
3_555 |
4 |
1 |
186 |
46.2 |
1.2 |
0.801 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[SO4]A:204 |
4 |
1 |
186 |
f |
A |
-y,x,z |
3_555 |
3 |
1 |
8733 |
44.3 |
-3.7 |
0.981 |
2 |
0 |
0 |
0.099 |
| 17 |
18 |
|
[SO4]B:205 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8672 |
43.7 |
-4.8 |
0.971 |
2 |
0 |
0 |
0.116 |
| 18 |
19 |
|
[SO4]B:205 |
4 |
1 |
185 |
◊ |
B |
-x,y,-z |
5_555 |
3 |
2 |
8672 |
43.2 |
-4.8 |
0.942 |
3 |
0 |
0 |
0.125 |
| 19 |
20 |
|
B |
5 |
3 |
8672 |
◊ |
[SO4]A:203 |
-y,x,z |
3_555 |
4 |
1 |
186 |
38.3 |
-5.0 |
0.580 |
0 |
0 |
0 |
0.052 |
| 20 |
21 |
|
[EDO]B:201 |
4 |
1 |
184 |
◊ |
B |
-y,x,z |
3_555 |
2 |
1 |
8672 |
36.6 |
0.5 |
0.407 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[SO4]B:203 |
4 |
1 |
185 |
◊ |
A |
-y,x,z |
3_555 |
3 |
1 |
8733 |
35.0 |
-4.4 |
0.472 |
0 |
0 |
0 |
0.046 |
| 22 |
23 |
|
[SO4]A:204 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8733 |
34.5 |
-2.9 |
0.975 |
1 |
0 |
0 |
0.073 |
| 23 |
24 |
|
B |
4 |
1 |
8672 |
◊ |
B |
-y,-x,-z |
8_555 |
4 |
1 |
8672 |
33.5 |
-0.3 |
0.561 |
0 |
0 |
0 |
0.003 |
| 24 |
25 |
|
[EDO]B:201 |
2 |
1 |
184 |
◊ |
A |
-y,x,z |
3_555 |
3 |
2 |
8733 |
20.4 |
0.4 |
0.801 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[ACT]A:201 |
1 |
1 |
181 |
◊ |
A |
y+1/2,x-1/2,-z-1/2 |
15_544 |
2 |
1 |
8733 |
19.0 |
0.5 |
0.928 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[SO4]A:204 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8672 |
9.5 |
-1.2 |
0.743 |
0 |
0 |
0 |
0.012 |
| 27 |
28 |
|
[SO4]A:202 |
2 |
1 |
186 |
◊ |
A |
y+1/2,x-1/2,-z-1/2 |
15_544 |
2 |
1 |
8733 |
4.4 |
-0.4 |
0.854 |
0 |
0 |
0 |
0.005 |
|