| ## |
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 |
216 |
57 |
15775 |
◊ |
A |
x,y,z |
1_555 |
213 |
52 |
15811 |
2003.1 |
-26.7 |
0.072 |
12 |
15 |
0 |
0.000 |
| 2 |
2 |
|
A |
70 |
21 |
15811 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
78 |
24 |
15811 |
710.1 |
1.6 |
0.793 |
10 |
7 |
0 |
0.000 |
3 |
|
B |
84 |
24 |
15775 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
71 |
21 |
15775 |
708.6 |
2.6 |
0.856 |
11 |
9 |
0 |
0.000 |
| Average: |
709.3 |
2.1 |
0.825 |
11 |
8 |
0 |
0.000 |
| 3 |
4 |
|
[ATP]A:501 |
29 |
1 |
595 |
f |
A |
x,y,z |
1_555 |
59 |
27 |
15811 |
436.8 |
-3.2 |
0.541 |
5 |
0 |
0 |
0.019 |
5 |
|
[ATP]B:501 |
30 |
1 |
592 |
f |
B |
x,y,z |
1_555 |
57 |
29 |
15775 |
426.2 |
-3.1 |
0.535 |
6 |
0 |
0 |
0.019 |
| Average: |
431.5 |
-3.2 |
0.538 |
6 |
0 |
0 |
0.019 |
| 4 |
6 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
15775 |
86.5 |
-11.8 |
0.830 |
6 |
0 |
0 |
0.038 |
| 5 |
7 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15811 |
80.8 |
-12.0 |
0.774 |
4 |
0 |
0 |
0.047 |
| 6 |
8 |
|
[SO4]B:504 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
15775 |
72.5 |
-9.5 |
0.722 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[SO4]A:504 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
15811 |
71.2 |
-9.8 |
0.757 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[SO4]B:505 |
5 |
1 |
186 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
15775 |
58.3 |
-6.8 |
0.915 |
2 |
0 |
0 |
0.020 |
| 9 |
11 |
|
B |
7 |
3 |
15775 |
x |
B |
-x+2,y-1/2,-z+1 |
2_746 |
8 |
3 |
15775 |
55.6 |
-0.7 |
0.467 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
A |
5 |
1 |
15811 |
◊ |
[SO4]A:504 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
186 |
47.4 |
-5.9 |
0.641 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[SO4]B:505 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
15775 |
42.1 |
-4.4 |
0.936 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[SO4]B:504 |
4 |
1 |
186 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
15775 |
38.6 |
-5.3 |
0.689 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
[ATP]B:501 |
x,y,z |
1_555 |
4 |
1 |
592 |
36.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.018 |
16 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[ATP]A:501 |
x,y,z |
1_555 |
4 |
1 |
595 |
34.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
35.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.018 |
| 14 |
17 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
15775 |
36.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.016 |
18 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
15811 |
34.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
35.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.016 |
| 15 |
19 |
|
[SO4]B:503 |
4 |
1 |
186 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
15811 |
34.7 |
-4.4 |
0.500 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
B |
2 |
2 |
15775 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
15811 |
17.8 |
0.5 |
0.785 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
B |
2 |
1 |
15775 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
15811 |
5.8 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
1 |
1 |
15775 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
15811 |
5.1 |
0.1 |
0.793 |
0 |
0 |
0 |
0.000 |
| Average: |
5.5 |
0.0 |
0.715 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[SO4]B:505 |
1 |
1 |
186 |
◊ |
[SO4]B:504 |
x,y,z |
1_555 |
1 |
1 |
186 |
1.6 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
|