| ## |
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 |
196 |
46 |
14582 |
◊ |
A |
x,y,z |
1_555 |
184 |
47 |
14615 |
2122.7 |
-30.1 |
0.003 |
9 |
5 |
0 |
0.208 |
| 2 |
2 |
|
B |
80 |
23 |
14582 |
◊ |
B |
x,-y,-z |
4_555 |
80 |
23 |
14582 |
651.6 |
-3.9 |
0.402 |
6 |
0 |
0 |
0.018 |
| 3 |
3 |
|
C |
56 |
16 |
6490 |
◊ |
A |
x,y,z |
1_555 |
62 |
17 |
14615 |
577.2 |
-10.7 |
0.021 |
3 |
1 |
0 |
0.141 |
| 4 |
4 |
|
D |
54 |
15 |
6571 |
◊ |
B |
x,y,z |
1_555 |
65 |
18 |
14582 |
567.1 |
-10.0 |
0.028 |
3 |
1 |
0 |
0.056 |
| 5 |
5 |
|
A |
57 |
16 |
14615 |
◊ |
C |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
56 |
15 |
6490 |
493.4 |
-4.2 |
0.305 |
4 |
1 |
0 |
0.000 |
| 6 |
6 |
|
A |
44 |
13 |
14615 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
52 |
13 |
6490 |
415.8 |
-0.2 |
0.595 |
3 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[ADP]A:504 |
27 |
1 |
531 |
f |
A |
x,y,z |
1_555 |
68 |
23 |
14615 |
365.7 |
-5.4 |
0.513 |
13 |
0 |
0 |
0.129 |
| 8 |
8 |
|
[ADP]B:505 |
27 |
1 |
528 |
f |
B |
x,y,z |
1_555 |
61 |
20 |
14582 |
361.2 |
-5.5 |
0.477 |
12 |
0 |
0 |
0.065 |
| 9 |
9 |
|
A |
39 |
11 |
14615 |
x |
A |
x-1/2,-y-1/2,-z |
8_445 |
27 |
8 |
14615 |
316.5 |
-2.7 |
0.366 |
3 |
2 |
0 |
0.000 |
| 10 |
10 |
|
D |
26 |
8 |
6571 |
◊ |
B |
x,-y,-z |
4_555 |
35 |
8 |
14582 |
281.8 |
-1.0 |
0.440 |
4 |
0 |
0 |
0.014 |
| 11 |
11 |
|
B |
29 |
9 |
14582 |
◊ |
A |
x,-y,-z |
4_555 |
25 |
10 |
14615 |
267.0 |
0.3 |
0.592 |
1 |
1 |
0 |
0.002 |
| 12 |
12 |
|
A |
24 |
8 |
14615 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
25 |
7 |
14582 |
225.6 |
-2.8 |
0.269 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
A |
24 |
6 |
14615 |
◊ |
B |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
25 |
6 |
14582 |
200.2 |
-1.3 |
0.455 |
2 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[SO4]A:501 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14615 |
101.3 |
-15.4 |
0.827 |
2 |
0 |
0 |
0.189 |
| 15 |
15 |
|
D |
15 |
6 |
6571 |
◊ |
D |
x,-y,-z |
4_555 |
15 |
6 |
6571 |
98.5 |
-0.3 |
0.527 |
1 |
0 |
0 |
0.002 |
| 16 |
16 |
|
[SO4]B:503 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
14582 |
93.1 |
-13.0 |
0.789 |
5 |
0 |
0 |
0.091 |
| 17 |
17 |
|
[SO4]B:501 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14582 |
87.6 |
-11.6 |
0.913 |
3 |
0 |
0 |
0.077 |
| 18 |
18 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
14615 |
77.1 |
-9.1 |
0.873 |
2 |
0 |
0 |
0.116 |
| 19 |
19 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14615 |
71.7 |
-8.5 |
0.854 |
4 |
0 |
0 |
0.119 |
| 20 |
20 |
|
[SO4]B:502 |
4 |
1 |
186 |
◊ |
B |
x,-y,-z |
4_555 |
12 |
4 |
14582 |
65.1 |
-9.2 |
0.659 |
2 |
0 |
0 |
0.055 |
| 21 |
21 |
|
[MG]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
6490 |
50.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.100 |
22 |
|
[MG]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
6571 |
50.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
50.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| 22 |
23 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
14582 |
45.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.031 |
| 23 |
24 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14615 |
42.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.053 |
| 24 |
25 |
|
[SO4]B:501 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14615 |
37.8 |
-3.7 |
0.948 |
1 |
0 |
0 |
0.024 |
| 25 |
26 |
|
[SO4]B:502 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14582 |
36.9 |
-4.1 |
0.437 |
0 |
0 |
0 |
0.024 |
| 26 |
27 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
14582 |
31.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.016 |
| 27 |
28 |
|
[ADP]B:505 |
4 |
1 |
528 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
4 |
1 |
185 |
29.6 |
-4.6 |
0.641 |
0 |
0 |
0 |
0.027 |
| 28 |
29 |
|
[ADP]A:504 |
6 |
1 |
531 |
f |
[MG]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.052 |
30 |
|
[ADP]B:505 |
5 |
1 |
528 |
f |
[MG]B:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
28.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.052 |
| 29 |
31 |
|
[SO4]A:501 |
2 |
1 |
187 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
4 |
2 |
6490 |
28.0 |
-2.9 |
0.908 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[ADP]A:504 |
4 |
1 |
531 |
f |
[SO4]A:502 |
x,y,z |
1_555 |
3 |
1 |
186 |
25.4 |
-4.3 |
0.604 |
0 |
0 |
0 |
0.050 |
| 31 |
33 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
[SO4]A:502 |
x,y,z |
1_555 |
1 |
1 |
186 |
20.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.054 |
| 32 |
34 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
3 |
1 |
185 |
15.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.019 |
| 33 |
35 |
|
A |
2 |
2 |
14615 |
◊ |
D |
x-1/2,-y-1/2,-z |
8_445 |
2 |
1 |
6571 |
11.7 |
0.5 |
0.807 |
0 |
0 |
0 |
0.000 |
|