## |
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 |
171 |
45 |
15898 |
◊ |
A |
x,y,z |
1_555 |
167 |
43 |
15725 |
1550.0 |
-13.6 |
0.332 |
22 |
12 |
0 |
0.078 |
2 |
2 |
|
B |
43 |
12 |
15898 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
44 |
15 |
15725 |
395.6 |
0.8 |
0.716 |
5 |
2 |
0 |
0.000 |
3 |
3 |
|
A |
40 |
13 |
15725 |
◊ |
B |
-y+3/2,x-1/2,z-1/4 |
3_644 |
42 |
13 |
15898 |
366.2 |
-5.7 |
0.228 |
1 |
0 |
0 |
0.000 |
4 |
4 |
|
[12H]A:4378 |
15 |
1 |
454 |
f |
A |
x,y,z |
1_555 |
39 |
16 |
15725 |
263.4 |
2.3 |
0.230 |
3 |
0 |
0 |
0.000 |
5 |
5 |
|
[12H]B:5378 |
15 |
1 |
456 |
f |
B |
x,y,z |
1_555 |
33 |
16 |
15898 |
263.1 |
1.4 |
0.119 |
4 |
0 |
0 |
0.001 |
6 |
6 |
|
B |
20 |
9 |
15898 |
◊ |
A |
y,x,-z |
7_555 |
22 |
13 |
15725 |
133.9 |
-0.8 |
0.589 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
20 |
10 |
15898 |
x |
B |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
17 |
7 |
15898 |
133.9 |
0.1 |
0.669 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[PO4]A:3003 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
15725 |
125.5 |
-9.2 |
0.504 |
4 |
0 |
0 |
0.034 |
9 |
9 |
|
[K]A:2001 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15725 |
110.8 |
-76.5 |
0.000 |
0 |
0 |
0 |
0.474 |
10 |
|
[K]B:2002 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15898 |
110.5 |
-76.0 |
0.000 |
0 |
0 |
0 |
0.474 |
Average: |
110.6 |
-76.2 |
0.000 |
0 |
0 |
0 |
0.474 |
10 |
11 |
|
[12H]A:4378 |
8 |
1 |
454 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
15898 |
91.4 |
1.5 |
0.329 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[12H]B:5378 |
10 |
1 |
456 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
15725 |
86.8 |
0.8 |
0.220 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[PO4]A:3002 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15725 |
62.6 |
-3.0 |
0.909 |
2 |
0 |
0 |
0.012 |
13 |
14 |
|
[PO4]A:3001 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15725 |
51.9 |
-2.2 |
0.892 |
0 |
0 |
0 |
0.007 |
14 |
15 |
|
[PO4]A:3001 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
15898 |
44.8 |
-1.8 |
0.891 |
1 |
0 |
0 |
0.007 |
15 |
16 |
|
[ZN]B:1376 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
15898 |
37.1 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.173 |
17 |
|
[ZN]A:1376 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
15725 |
36.4 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.173 |
Average: |
36.8 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.173 |
16 |
18 |
|
[PO4]A:3002 |
3 |
1 |
186 |
◊ |
B |
-y+3/2,x-1/2,z-1/4 |
3_644 |
4 |
2 |
15898 |
34.1 |
-1.6 |
0.811 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[K]B:2002 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15725 |
33.3 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.090 |
20 |
|
[K]A:2001 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15898 |
32.2 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
32.8 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.090 |
18 |
21 |
|
[12H]B:5378 |
3 |
1 |
456 |
f |
[ZN]B:1376 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.078 |
22 |
|
[12H]A:4378 |
2 |
1 |
454 |
f |
[ZN]A:1376 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
29.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.078 |
19 |
23 |
|
[PO4]A:3001 |
3 |
1 |
186 |
f |
[K]A:2001 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.038 |
20 |
24 |
|
[PO4]A:3001 |
3 |
1 |
186 |
◊ |
[K]B:2002 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.015 |
|