| ## |
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 |
684 |
175 |
31288 |
◊ |
A |
x,y,z |
1_555 |
686 |
178 |
30808 |
7091.3 |
-89.9 |
0.171 |
61 |
5 |
0 |
0.668 |
| 2 |
2 |
|
B |
60 |
15 |
31288 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
55 |
15 |
30808 |
530.9 |
-2.7 |
0.663 |
6 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[ADP]B:601 |
25 |
1 |
548 |
f |
B |
x,y,z |
1_555 |
38 |
14 |
31288 |
248.8 |
-5.3 |
0.651 |
10 |
0 |
0 |
0.115 |
4 |
|
[ADP]A:601 |
23 |
1 |
550 |
f |
A |
x,y,z |
1_555 |
37 |
14 |
30808 |
237.1 |
-5.6 |
0.598 |
11 |
0 |
0 |
0.115 |
| Average: |
243.0 |
-5.5 |
0.625 |
11 |
0 |
0 |
0.115 |
| 4 |
5 |
|
B |
24 |
8 |
31288 |
◊ |
B |
-x,y,-z+3 |
2_558 |
24 |
8 |
31288 |
193.9 |
-1.9 |
0.545 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
21 |
4 |
31288 |
◊ |
A |
-x,y,-z+3 |
2_558 |
23 |
8 |
30808 |
184.5 |
-1.9 |
0.495 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[ADP]A:601 |
22 |
1 |
550 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
31288 |
171.7 |
-1.2 |
0.779 |
2 |
0 |
0 |
0.024 |
8 |
|
[ADP]B:601 |
21 |
1 |
548 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
30808 |
169.7 |
-1.2 |
0.789 |
2 |
0 |
0 |
0.024 |
| Average: |
170.7 |
-1.2 |
0.784 |
2 |
0 |
0 |
0.024 |
| 7 |
9 |
|
A |
14 |
3 |
30808 |
x |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
14 |
5 |
30808 |
118.6 |
-1.5 |
0.471 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[VO4]B:603 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
31288 |
89.7 |
-1.0 |
0.565 |
0 |
0 |
0 |
0.006 |
| 9 |
11 |
|
[VO4]A:603 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
30808 |
89.6 |
-1.3 |
0.556 |
0 |
0 |
0 |
0.007 |
| 10 |
12 |
|
[VO4]B:603 |
4 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
30808 |
52.4 |
-0.9 |
0.656 |
0 |
0 |
0 |
0.005 |
| 11 |
13 |
|
[VO4]A:603 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
31288 |
50.0 |
-0.7 |
0.663 |
0 |
0 |
0 |
0.004 |
| 12 |
14 |
|
[VO4]A:603 |
4 |
1 |
216 |
f |
[ADP]A:601 |
x,y,z |
1_555 |
5 |
1 |
550 |
41.5 |
-3.5 |
0.332 |
0 |
0 |
0 |
0.020 |
| 13 |
15 |
|
[VO4]B:603 |
4 |
1 |
215 |
f |
[ADP]B:601 |
x,y,z |
1_555 |
6 |
1 |
548 |
39.9 |
-3.5 |
0.353 |
0 |
0 |
0 |
0.020 |
| 14 |
16 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
31288 |
30.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.048 |
17 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
30808 |
30.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
30.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.048 |
| 15 |
18 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
[ADP]A:601 |
x,y,z |
1_555 |
5 |
1 |
550 |
24.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
19 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
[ADP]B:601 |
x,y,z |
1_555 |
5 |
1 |
548 |
23.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
24.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
| 16 |
20 |
|
[VO4]A:603 |
3 |
1 |
216 |
f |
[MG]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.033 |
21 |
|
[VO4]B:603 |
2 |
1 |
215 |
f |
[MG]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
21.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.033 |
| 17 |
22 |
|
[MG]A:602 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
31288 |
9.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
23 |
|
[MG]B:602 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
30808 |
8.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
8.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 18 |
24 |
|
A |
2 |
2 |
30808 |
◊ |
A |
-x,y,-z+3 |
2_558 |
2 |
2 |
30808 |
4.6 |
-0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
|