| ## |
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 |
435 |
112 |
29752 |
◊ |
B |
-x,-y-1/2,z |
14_545 |
430 |
112 |
29752 |
4062.8 |
-41.5 |
0.068 |
48 |
24 |
0 |
0.584 |
2 |
|
A |
422 |
112 |
29987 |
◊ |
A |
-x,-y-1/2,z |
14_545 |
419 |
111 |
29987 |
4025.9 |
-44.0 |
0.040 |
46 |
24 |
0 |
0.584 |
| Average: |
4044.3 |
-42.7 |
0.054 |
47 |
24 |
0 |
0.584 |
| 2 |
3 |
|
B |
302 |
78 |
29752 |
◊ |
A |
-x,-y-1/2,z |
14_545 |
303 |
77 |
29987 |
2928.9 |
-39.8 |
0.014 |
26 |
23 |
0 |
0.518 |
| 3 |
4 |
|
F |
58 |
15 |
2757 |
◊ |
A |
x,y,z |
1_555 |
71 |
18 |
29987 |
618.9 |
-1.6 |
0.729 |
7 |
7 |
0 |
0.123 |
5 |
|
E |
59 |
15 |
2716 |
◊ |
B |
x,y,z |
1_555 |
68 |
17 |
29752 |
616.1 |
-3.7 |
0.637 |
3 |
6 |
0 |
0.123 |
| Average: |
617.5 |
-2.6 |
0.683 |
5 |
7 |
0 |
0.123 |
| 4 |
6 |
|
B |
69 |
18 |
29752 |
◊ |
A |
x,y,z |
1_555 |
71 |
18 |
29987 |
611.0 |
-0.7 |
0.671 |
8 |
13 |
0 |
0.066 |
| 5 |
7 |
|
E |
44 |
11 |
2716 |
◊ |
A |
x,y,z |
1_555 |
54 |
17 |
29987 |
506.3 |
-4.9 |
0.480 |
5 |
3 |
0 |
0.173 |
8 |
|
F |
44 |
11 |
2757 |
◊ |
B |
x,y,z |
1_555 |
59 |
17 |
29752 |
501.2 |
-5.5 |
0.450 |
6 |
4 |
0 |
0.173 |
| Average: |
503.8 |
-5.2 |
0.465 |
6 |
4 |
0 |
0.173 |
| 6 |
9 |
|
[ATP]A:601 |
31 |
1 |
576 |
f |
A |
x,y,z |
1_555 |
58 |
19 |
29987 |
403.9 |
1.7 |
0.729 |
9 |
0 |
0 |
0.068 |
10 |
|
[ATP]B:601 |
31 |
1 |
564 |
f |
B |
x,y,z |
1_555 |
61 |
20 |
29752 |
396.1 |
2.7 |
0.754 |
15 |
0 |
0 |
0.068 |
| Average: |
400.0 |
2.2 |
0.742 |
12 |
0 |
0 |
0.068 |
| 7 |
11 |
|
F |
42 |
12 |
2757 |
◊ |
E |
x,y,z |
1_555 |
40 |
13 |
2716 |
384.4 |
-9.0 |
0.259 |
1 |
0 |
0 |
1.000 |
| 8 |
12 |
|
B |
30 |
10 |
29752 |
◊ |
A |
z,x,y |
5_555 |
38 |
8 |
29987 |
330.9 |
-1.1 |
0.555 |
4 |
9 |
0 |
0.000 |
13 |
|
B |
40 |
8 |
29752 |
◊ |
A |
-z,x-1/2,-y-1/2 |
8_544 |
28 |
9 |
29987 |
324.0 |
-2.0 |
0.482 |
4 |
5 |
0 |
0.000 |
| Average: |
327.5 |
-1.6 |
0.518 |
4 |
7 |
0 |
0.000 |
| 9 |
14 |
|
[SO4]B:602 |
5 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
29752 |
113.4 |
-19.2 |
0.672 |
5 |
0 |
0 |
0.365 |
| 10 |
15 |
|
[SO4]A:602 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
29987 |
112.8 |
-19.3 |
0.670 |
6 |
0 |
0 |
0.377 |
| 11 |
16 |
|
[ATP]A:601 |
5 |
1 |
576 |
◊ |
A |
-x,-y-1/2,z |
14_545 |
9 |
3 |
29987 |
50.9 |
0.6 |
0.656 |
0 |
0 |
0 |
0.000 |
17 |
|
[ATP]B:601 |
5 |
1 |
564 |
◊ |
B |
-x,-y-1/2,z |
14_545 |
8 |
3 |
29752 |
44.9 |
0.5 |
0.650 |
0 |
0 |
0 |
0.000 |
| Average: |
47.9 |
0.6 |
0.653 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
E |
3 |
1 |
2716 |
◊ |
A |
-x,-y-1/2,z |
14_545 |
1 |
1 |
29987 |
17.4 |
0.5 |
0.852 |
0 |
0 |
0 |
0.000 |
19 |
|
F |
3 |
1 |
2757 |
◊ |
B |
-x,-y-1/2,z |
14_545 |
2 |
2 |
29752 |
12.5 |
0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
| Average: |
14.9 |
0.4 |
0.807 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[SO4]B:602 |
2 |
1 |
181 |
f |
[ATP]B:601 |
x,y,z |
1_555 |
3 |
1 |
564 |
6.8 |
-0.6 |
0.710 |
0 |
0 |
0 |
0.011 |
| 14 |
21 |
|
[SO4]A:602 |
2 |
1 |
184 |
f |
[ATP]A:601 |
x,y,z |
1_555 |
3 |
1 |
576 |
5.5 |
-0.5 |
0.694 |
0 |
0 |
0 |
0.009 |
|