| ## |
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 |
|
A |
50 |
18 |
5922 |
◊ |
A |
-x+1,y,-z |
2_655 |
49 |
17 |
5922 |
442.4 |
-4.1 |
0.265 |
2 |
0 |
0 |
0.105 |
2 |
|
B |
49 |
18 |
5916 |
◊ |
B |
-x+1,y,-z-1 |
2_654 |
48 |
17 |
5916 |
439.2 |
-4.1 |
0.274 |
2 |
0 |
0 |
0.105 |
| Average: |
440.8 |
-4.1 |
0.269 |
2 |
0 |
0 |
0.105 |
| 2 |
3 |
|
A |
46 |
14 |
5922 |
x |
A |
-x+3/2,y-1/2,-z |
4_645 |
45 |
15 |
5922 |
409.1 |
2.6 |
0.792 |
4 |
2 |
0 |
0.000 |
4 |
|
B |
44 |
13 |
5916 |
x |
B |
-x+3/2,y-1/2,-z-1 |
4_644 |
45 |
15 |
5916 |
407.3 |
2.2 |
0.774 |
3 |
2 |
0 |
0.000 |
| Average: |
408.2 |
2.4 |
0.783 |
4 |
2 |
0 |
0.000 |
| 3 |
5 |
|
[DSS]A:301 |
6 |
1 |
268 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
5922 |
164.9 |
1.2 |
0.446 |
1 |
0 |
0 |
0.000 |
6 |
|
[DSS]B:302 |
6 |
1 |
269 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
5916 |
164.1 |
1.3 |
0.456 |
2 |
0 |
0 |
0.000 |
| Average: |
164.5 |
1.3 |
0.451 |
2 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
14 |
4 |
5916 |
◊ |
A |
-x+3/2,y-1/2,-z-1 |
4_644 |
12 |
4 |
5922 |
116.0 |
-1.3 |
0.368 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
B |
16 |
4 |
5916 |
◊ |
A |
-x+1,y,-z-1 |
2_654 |
14 |
5 |
5922 |
115.5 |
-0.9 |
0.442 |
2 |
1 |
0 |
0.000 |
| 6 |
9 |
|
[SO4]B:404 |
5 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
5916 |
62.4 |
-9.7 |
0.660 |
3 |
0 |
0 |
0.472 |
10 |
|
[SO4]A:403 |
5 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
5922 |
62.1 |
-9.6 |
0.644 |
4 |
0 |
0 |
0.472 |
| Average: |
62.2 |
-9.7 |
0.652 |
4 |
0 |
0 |
0.472 |
| 7 |
11 |
|
[SO4]B:404 |
5 |
1 |
181 |
◊ |
B |
-x+1,y,-z-1 |
2_654 |
9 |
4 |
5916 |
62.0 |
-9.7 |
0.660 |
3 |
0 |
0 |
0.472 |
12 |
|
[SO4]A:403 |
5 |
1 |
181 |
◊ |
A |
-x+1,y,-z |
2_655 |
9 |
4 |
5922 |
61.7 |
-9.6 |
0.643 |
4 |
0 |
0 |
0.472 |
| Average: |
61.8 |
-9.6 |
0.652 |
4 |
0 |
0 |
0.472 |
| 8 |
13 |
|
B |
6 |
4 |
5916 |
x |
B |
x,y-1,z |
1_545 |
7 |
3 |
5916 |
55.1 |
0.9 |
0.784 |
1 |
0 |
0 |
0.000 |
14 |
|
A |
6 |
4 |
5922 |
x |
A |
x,y-1,z |
1_545 |
6 |
3 |
5922 |
44.0 |
0.7 |
0.744 |
1 |
0 |
0 |
0.000 |
| Average: |
49.6 |
0.8 |
0.764 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[NH4]A:401 |
1 |
1 |
117 |
x |
A |
x,y,z |
1_555 |
7 |
3 |
5922 |
52.0 |
1.0 |
0.799 |
0 |
0 |
0 |
0.000 |
16 |
|
[NH4]B:402 |
1 |
1 |
117 |
x |
B |
x,y,z |
1_555 |
6 |
3 |
5916 |
51.9 |
1.0 |
0.816 |
0 |
0 |
0 |
0.000 |
| Average: |
52.0 |
1.0 |
0.807 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
B |
8 |
2 |
5916 |
◊ |
A |
-x+1,y-1,-z-1 |
2_644 |
9 |
3 |
5922 |
51.5 |
-0.7 |
0.449 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
B |
5 |
4 |
5916 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
5922 |
44.0 |
0.6 |
0.724 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[DSS]B:302 |
2 |
1 |
269 |
f |
B |
-x+1,y,-z-1 |
2_654 |
5 |
2 |
5916 |
22.7 |
0.3 |
0.465 |
0 |
0 |
0 |
0.000 |
20 |
|
[DSS]A:301 |
2 |
1 |
268 |
f |
A |
-x+1,y,-z |
2_655 |
5 |
2 |
5922 |
21.2 |
0.3 |
0.467 |
0 |
0 |
0 |
0.000 |
| Average: |
21.9 |
0.3 |
0.466 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[SO4]A:403 |
3 |
1 |
181 |
x |
[NH4]A:401 |
x,y,z |
1_555 |
1 |
1 |
117 |
17.3 |
-1.7 |
0.996 |
0 |
0 |
0 |
0.068 |
22 |
|
[SO4]B:404 |
2 |
1 |
181 |
x |
[NH4]B:402 |
x,y,z |
1_555 |
1 |
1 |
117 |
16.7 |
-1.6 |
0.980 |
0 |
0 |
0 |
0.068 |
| Average: |
17.0 |
-1.7 |
0.988 |
0 |
0 |
0 |
0.068 |
| 14 |
23 |
|
B |
2 |
1 |
5916 |
◊ |
A |
x,y-1,z-1 |
1_544 |
1 |
1 |
5922 |
3.0 |
0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
B |
2 |
2 |
5916 |
◊ |
A |
-x+3/2,y-1/2,-z |
4_645 |
2 |
2 |
5922 |
1.1 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
|