| ## |
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 |
176 |
48 |
12466 |
◊ |
A |
x-y,-y,-z |
8_555 |
189 |
47 |
11771 |
1759.7 |
-23.0 |
0.047 |
8 |
11 |
0 |
0.701 |
| 2 |
2 |
|
K |
163 |
44 |
13471 |
◊ |
C |
x-y,-y,-z |
8_555 |
174 |
42 |
12275 |
1720.2 |
-26.3 |
0.031 |
9 |
7 |
0 |
0.377 |
| 3 |
3 |
|
K |
121 |
30 |
13471 |
◊ |
C |
x,y,z |
1_555 |
115 |
28 |
12275 |
1142.5 |
-1.2 |
0.748 |
13 |
9 |
0 |
0.079 |
| 4 |
4 |
|
K |
97 |
23 |
13471 |
◊ |
B |
x,y,z |
1_555 |
99 |
28 |
12466 |
889.6 |
-1.9 |
0.710 |
11 |
4 |
0 |
0.071 |
| 5 |
5 |
|
B |
72 |
20 |
12466 |
◊ |
A |
x,y,z |
1_555 |
84 |
26 |
11771 |
720.1 |
1.0 |
0.748 |
11 |
5 |
0 |
0.040 |
6 |
|
C |
69 |
21 |
12275 |
◊ |
A |
x,y,z |
1_555 |
67 |
18 |
11771 |
662.6 |
4.3 |
0.906 |
7 |
5 |
0 |
0.040 |
| Average: |
691.3 |
2.6 |
0.827 |
9 |
5 |
0 |
0.040 |
| 6 |
7 |
|
C |
40 |
15 |
12275 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
44 |
11 |
11771 |
399.9 |
-4.7 |
0.250 |
1 |
2 |
0 |
0.000 |
| 7 |
8 |
|
K |
40 |
12 |
13471 |
◊ |
K |
x-y,-y,-z |
8_555 |
40 |
12 |
13471 |
397.0 |
5.3 |
0.959 |
12 |
18 |
0 |
0.008 |
| 8 |
9 |
|
K |
36 |
11 |
13471 |
◊ |
B |
-y,-x,-z-1/6 |
10_554 |
38 |
13 |
12466 |
357.6 |
-5.3 |
0.228 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
C |
25 |
5 |
12275 |
◊ |
B |
-y,-x,-z-1/6 |
10_554 |
19 |
6 |
12466 |
182.4 |
-2.9 |
0.232 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
K |
14 |
4 |
13471 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
11771 |
140.8 |
0.7 |
0.780 |
3 |
2 |
0 |
0.009 |
| 11 |
12 |
|
C |
14 |
7 |
12275 |
◊ |
B |
x-y,-y,-z |
8_555 |
9 |
6 |
12466 |
94.5 |
2.7 |
0.904 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
3 |
2 |
11771 |
◊ |
A |
x-y,-y,-z |
8_555 |
3 |
2 |
11771 |
24.7 |
0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
| Average: |
59.6 |
1.6 |
0.856 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
B |
13 |
6 |
12466 |
◊ |
B |
-y,-x,-z-1/6 |
10_554 |
12 |
6 |
12466 |
86.1 |
-0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[SO4]K:293 |
5 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
12 |
7 |
13471 |
85.4 |
-10.5 |
0.875 |
2 |
0 |
0 |
0.136 |
| 14 |
16 |
|
[PO4]C:229 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
12275 |
73.8 |
-4.4 |
0.777 |
2 |
0 |
0 |
0.064 |
| 15 |
17 |
|
K |
10 |
4 |
13471 |
◊ |
B |
x-y,-y+1,-z |
8_565 |
8 |
3 |
12466 |
73.7 |
-1.4 |
0.315 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[PO4]K:292 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
12275 |
72.4 |
-4.3 |
0.732 |
2 |
0 |
0 |
0.062 |
| 17 |
19 |
|
[SO4]K:294 |
5 |
1 |
187 |
f |
K |
x,y,z |
1_555 |
14 |
6 |
13471 |
70.4 |
-8.3 |
0.942 |
2 |
0 |
0 |
0.110 |
| 18 |
20 |
|
[PO4]K:292 |
4 |
1 |
188 |
◊ |
K |
x,y,z |
1_555 |
8 |
3 |
13471 |
66.7 |
-3.6 |
0.870 |
0 |
0 |
0 |
0.034 |
| 19 |
21 |
|
[PO4]C:229 |
4 |
1 |
188 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
13471 |
65.1 |
-2.4 |
0.937 |
2 |
0 |
0 |
0.031 |
| 20 |
22 |
|
[NA]A:229 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11771 |
60.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.180 |
| 21 |
23 |
|
[CL]C:230 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
9 |
5 |
13471 |
55.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.085 |
| 22 |
24 |
|
[SO4]K:294 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
12275 |
49.3 |
-5.4 |
0.913 |
3 |
0 |
0 |
0.064 |
| 23 |
25 |
|
[MN]K:291 |
1 |
1 |
123 |
f |
K |
x,y,z |
1_555 |
15 |
7 |
13471 |
47.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.035 |
| 24 |
26 |
|
[NA]A:229 |
1 |
1 |
125 |
◊ |
B |
x-y,-y,-z |
8_555 |
6 |
3 |
12466 |
46.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.120 |
| 25 |
27 |
|
B |
3 |
1 |
12466 |
◊ |
B |
-y+1,-x+1,-z-1/6 |
10_664 |
3 |
1 |
12466 |
30.2 |
-0.3 |
0.427 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[SO4]K:294 |
4 |
1 |
187 |
f |
[MN]K:291 |
x,y,z |
1_555 |
1 |
1 |
123 |
28.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.055 |
| 27 |
29 |
|
[CL]C:230 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
11771 |
26.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.054 |
30 |
|
[CL]C:230 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12275 |
24.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
25.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.054 |
| 28 |
31 |
|
[SO4]K:293 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12275 |
17.4 |
-2.1 |
0.835 |
1 |
0 |
0 |
0.024 |
| 29 |
32 |
|
[SO4]K:293 |
3 |
1 |
185 |
f |
[MN]K:291 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| 30 |
33 |
|
[MN]K:291 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12275 |
16.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 31 |
34 |
|
A |
1 |
1 |
11771 |
◊ |
K |
x,y-1,z |
1_545 |
2 |
1 |
13471 |
12.7 |
-0.4 |
0.252 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[SO4]K:294 |
1 |
1 |
187 |
f |
[SO4]K:293 |
x,y,z |
1_555 |
1 |
1 |
185 |
12.3 |
-3.0 |
0.800 |
0 |
0 |
0 |
0.036 |
| 33 |
36 |
|
[SO4]K:294 |
2 |
1 |
187 |
◊ |
[PO4]C:229 |
x,y,z |
1_555 |
3 |
1 |
188 |
10.9 |
-1.8 |
0.976 |
0 |
0 |
0 |
0.017 |
| 34 |
37 |
|
[SO4]K:293 |
1 |
1 |
185 |
◊ |
[PO4]K:292 |
x,y,z |
1_555 |
1 |
1 |
188 |
9.2 |
-1.6 |
0.800 |
0 |
0 |
0 |
0.015 |
| 35 |
38 |
|
[PO4]C:229 |
1 |
1 |
188 |
◊ |
K |
x-y,-y,-z |
8_555 |
1 |
1 |
13471 |
8.3 |
-0.3 |
0.820 |
0 |
0 |
0 |
0.004 |
| 36 |
39 |
|
C |
4 |
2 |
12275 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12466 |
5.4 |
0.2 |
0.741 |
0 |
0 |
0 |
0.000 |
|