| ## |
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 |
175 |
49 |
9324 |
◊ |
A |
x,y,z |
1_555 |
181 |
50 |
9181 |
1714.2 |
-10.6 |
0.602 |
20 |
5 |
0 |
0.211 |
| 2 |
2 |
|
A |
77 |
23 |
9181 |
x |
A |
-y+1,x-1,z+1/4 |
3_645 |
69 |
17 |
9181 |
678.2 |
-4.1 |
0.580 |
2 |
2 |
0 |
0.000 |
3 |
|
B |
64 |
15 |
9324 |
x |
B |
-y+1,x,z+1/4 |
3_655 |
73 |
22 |
9324 |
647.1 |
-4.2 |
0.583 |
3 |
2 |
0 |
0.000 |
| Average: |
662.7 |
-4.1 |
0.582 |
3 |
2 |
0 |
0.000 |
| 3 |
4 |
|
A |
48 |
12 |
9181 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
41 |
13 |
9324 |
417.6 |
-4.7 |
0.404 |
5 |
4 |
0 |
0.000 |
5 |
|
A |
43 |
13 |
9181 |
◊ |
B |
-y+1,x-1,z+1/4 |
3_645 |
47 |
12 |
9324 |
417.3 |
-5.0 |
0.383 |
6 |
4 |
0 |
0.000 |
| Average: |
417.4 |
-4.9 |
0.394 |
6 |
4 |
0 |
0.000 |
| 4 |
6 |
|
[ATP]A:357 |
23 |
1 |
578 |
f |
A |
x,y,z |
1_555 |
35 |
13 |
9181 |
263.9 |
-5.5 |
0.386 |
5 |
0 |
0 |
0.081 |
| 5 |
7 |
|
[ATP]B:257 |
24 |
1 |
570 |
f |
B |
x,y,z |
1_555 |
34 |
13 |
9324 |
252.7 |
-4.2 |
0.488 |
5 |
0 |
0 |
0.067 |
| 6 |
8 |
|
[ATP]A:357 |
15 |
1 |
578 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
9324 |
144.4 |
-2.9 |
0.518 |
2 |
0 |
0 |
0.040 |
| 7 |
9 |
|
[ATP]B:257 |
15 |
1 |
570 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
9181 |
135.6 |
-0.8 |
0.683 |
3 |
0 |
0 |
0.023 |
| 8 |
10 |
|
B |
13 |
6 |
9324 |
◊ |
A |
-x+1,-y,z-1/2 |
2_654 |
15 |
6 |
9181 |
125.5 |
-0.8 |
0.573 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[MG]B:203 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9324 |
50.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.139 |
12 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9181 |
49.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
49.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.139 |
| 10 |
13 |
|
[MG]B:206 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9324 |
44.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.115 |
14 |
|
[MG]A:205 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9181 |
44.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.115 |
| Average: |
44.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.115 |
| 11 |
15 |
|
[ATP]B:257 |
4 |
1 |
570 |
f |
[MG]B:203 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.094 |
16 |
|
[ATP]A:357 |
3 |
1 |
578 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
30.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.094 |
| 12 |
17 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9324 |
30.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.087 |
18 |
|
[MG]A:204 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9181 |
29.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.087 |
| Average: |
29.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.087 |
| 13 |
19 |
|
[ATP]A:357 |
4 |
1 |
578 |
f |
[MG]A:204 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.079 |
20 |
|
[ATP]B:257 |
6 |
1 |
570 |
f |
[MG]B:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
27.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.079 |
| 14 |
21 |
|
[MG]A:204 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
9324 |
26.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.062 |
22 |
|
[MG]B:202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
9181 |
25.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
26.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.062 |
| 15 |
23 |
|
A |
1 |
1 |
9181 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
9324 |
15.2 |
0.3 |
0.546 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
1 |
1 |
9324 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
9181 |
0.7 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
| Average: |
8.0 |
0.2 |
0.621 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
A |
4 |
2 |
9181 |
◊ |
[ATP]A:357 |
-y+1,x-1,z+1/4 |
3_645 |
1 |
1 |
578 |
11.5 |
0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[ATP]B:257 |
1 |
1 |
570 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
3 |
1 |
9324 |
9.5 |
0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
A |
3 |
1 |
9181 |
◊ |
[MG]A:201 |
-y+1,x-1,z+1/4 |
3_645 |
1 |
1 |
98 |
9.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[ATP]A:357 |
1 |
1 |
578 |
f |
[MG]A:205 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
|