| ## |
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 |
117 |
33 |
16096 |
◊ |
A |
x,y,z |
1_555 |
122 |
37 |
16563 |
1014.3 |
3.5 |
0.804 |
25 |
2 |
0 |
0.000 |
| 2 |
2 |
|
[ADP]B:401 |
26 |
1 |
548 |
f |
B |
x,y,z |
1_555 |
62 |
25 |
16096 |
370.5 |
-6.6 |
0.449 |
9 |
0 |
0 |
0.046 |
3 |
|
[ADP]A:400 |
27 |
1 |
545 |
f |
A |
x,y,z |
1_555 |
50 |
19 |
16563 |
358.0 |
-4.9 |
0.529 |
10 |
0 |
0 |
0.046 |
| Average: |
364.2 |
-5.7 |
0.489 |
10 |
0 |
0 |
0.046 |
| 3 |
4 |
|
B |
33 |
13 |
16096 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
32 |
11 |
16096 |
282.2 |
3.0 |
0.856 |
3 |
2 |
0 |
0.000 |
| 4 |
5 |
|
A |
35 |
8 |
16563 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
29 |
8 |
16563 |
259.8 |
2.2 |
0.767 |
2 |
3 |
0 |
0.000 |
| 5 |
6 |
|
B |
31 |
8 |
16096 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
25 |
8 |
16563 |
228.5 |
-2.7 |
0.214 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
25 |
8 |
16563 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
19 |
6 |
16563 |
192.5 |
-0.3 |
0.541 |
2 |
1 |
0 |
0.000 |
| 7 |
8 |
|
A |
23 |
10 |
16563 |
◊ |
B |
x,y-1,z |
1_545 |
26 |
10 |
16096 |
188.1 |
3.6 |
0.893 |
2 |
4 |
0 |
0.000 |
| 8 |
9 |
|
[IOM]B:402 |
9 |
1 |
286 |
f |
B |
x,y,z |
1_555 |
30 |
17 |
16096 |
183.9 |
-1.2 |
0.563 |
3 |
0 |
0 |
0.010 |
| 9 |
10 |
|
A |
16 |
8 |
16563 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
17 |
7 |
16096 |
173.8 |
5.1 |
0.967 |
4 |
5 |
0 |
0.000 |
| 10 |
11 |
|
A |
18 |
7 |
16563 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
7 |
16096 |
169.6 |
-0.3 |
0.557 |
1 |
1 |
0 |
0.000 |
| 11 |
12 |
|
B |
13 |
3 |
16096 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
6 |
16096 |
88.4 |
0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[NO3]B:405 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
16096 |
69.5 |
1.7 |
0.708 |
4 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
16563 |
41.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.023 |
15 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16096 |
38.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
39.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| 14 |
16 |
|
[ADP]A:400 |
4 |
1 |
545 |
f |
[MG]A:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.031 |
17 |
|
[ADP]B:401 |
4 |
1 |
548 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
34.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.031 |
| 15 |
18 |
|
[IOM]B:402 |
6 |
1 |
286 |
f |
[NO3]B:405 |
x,y,z |
1_555 |
4 |
1 |
168 |
37.1 |
0.1 |
0.831 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[NO3]B:405 |
4 |
1 |
168 |
f |
[ADP]B:401 |
x,y,z |
1_555 |
6 |
1 |
548 |
33.7 |
-1.5 |
0.635 |
0 |
0 |
0 |
0.006 |
| 17 |
20 |
|
[NO3]B:405 |
2 |
1 |
168 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 18 |
21 |
|
[IOM]B:402 |
1 |
1 |
286 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| 19 |
22 |
|
[IOM]B:402 |
1 |
1 |
286 |
f |
[ADP]B:401 |
x,y,z |
1_555 |
1 |
1 |
548 |
0.4 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
|