| ## |
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 |
159 |
38 |
8870 |
◊ |
B |
x,-y,-z+1 |
4_556 |
159 |
38 |
8870 |
1466.8 |
-18.3 |
0.082 |
14 |
16 |
0 |
0.178 |
2 |
|
A |
144 |
34 |
8455 |
◊ |
A |
x,-y+1,-z |
4_565 |
144 |
34 |
8455 |
1357.5 |
-12.0 |
0.277 |
12 |
22 |
0 |
0.178 |
| Average: |
1412.2 |
-15.2 |
0.179 |
13 |
19 |
0 |
0.178 |
| 2 |
3 |
|
A |
42 |
15 |
8455 |
◊ |
B |
-x-2,-y+1,z-1/2 |
2_364 |
46 |
16 |
8870 |
435.0 |
-6.5 |
0.154 |
0 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
34 |
11 |
8870 |
◊ |
B |
-x-2,y,-z+1/2 |
3_355 |
35 |
11 |
8870 |
324.7 |
2.1 |
0.825 |
6 |
4 |
0 |
0.000 |
| 4 |
5 |
|
[6RH]B:301 |
16 |
1 |
444 |
f |
B |
x,y,z |
1_555 |
39 |
15 |
8870 |
260.3 |
-7.4 |
0.595 |
8 |
0 |
0 |
0.144 |
| 5 |
6 |
|
A |
30 |
11 |
8455 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
30 |
11 |
8455 |
201.5 |
-2.0 |
0.471 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
19 |
7 |
8455 |
◊ |
B |
-x-1,-y+1,z-1/2 |
2_464 |
21 |
7 |
8870 |
193.1 |
-4.0 |
0.136 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[6RH]A:301 |
13 |
1 |
441 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
8455 |
166.6 |
-1.4 |
0.720 |
2 |
0 |
0 |
0.029 |
| 8 |
9 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
8455 |
107.2 |
-17.4 |
0.711 |
6 |
0 |
0 |
0.250 |
| 9 |
10 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
8455 |
95.1 |
-14.6 |
0.776 |
4 |
0 |
0 |
0.204 |
| 10 |
11 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
8870 |
87.8 |
-13.4 |
0.743 |
4 |
0 |
0 |
0.201 |
| 11 |
12 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8455 |
46.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.080 |
13 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8870 |
41.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
44.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.080 |
| 12 |
14 |
|
[MG]A:306 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
7 |
5 |
8455 |
44.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.048 |
| 13 |
15 |
|
[MG]B:305 |
1 |
1 |
98 |
f |
B |
x,-y,-z+1 |
4_556 |
10 |
4 |
8870 |
43.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.077 |
| 14 |
16 |
|
[MG]B:305 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
8870 |
34.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.055 |
| 15 |
17 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
3 |
1 |
185 |
31.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.090 |
18 |
|
[MG]A:305 |
1 |
1 |
98 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
30.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.090 |
| 16 |
19 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
8870 |
30.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.051 |
20 |
|
[MG]A:305 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
8455 |
28.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
29.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.051 |
| 17 |
21 |
|
[MG]A:305 |
1 |
1 |
98 |
f |
[6RH]A:301 |
x,y,z |
1_555 |
5 |
1 |
441 |
27.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.041 |
22 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[6RH]B:301 |
x,y,z |
1_555 |
4 |
1 |
444 |
19.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
23.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| 18 |
23 |
|
B |
1 |
1 |
8870 |
◊ |
B |
-x-2,y,-z+3/2 |
3_356 |
1 |
1 |
8870 |
23.3 |
-0.7 |
0.089 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[6RH]B:301 |
x,y,z |
1_555 |
3 |
1 |
444 |
23.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| 20 |
25 |
|
[SO4]A:303 |
2 |
1 |
185 |
f |
[6RH]A:301 |
x,y,z |
1_555 |
3 |
1 |
441 |
19.5 |
-2.6 |
0.877 |
0 |
0 |
0 |
0.033 |
| 21 |
26 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
3 |
1 |
185 |
17.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.044 |
27 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
4 |
1 |
185 |
15.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
16.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.044 |
| 22 |
28 |
|
[SO4]A:302 |
1 |
1 |
185 |
f |
[6RH]A:301 |
x,y,z |
1_555 |
4 |
1 |
441 |
15.5 |
-2.2 |
0.845 |
0 |
0 |
0 |
0.027 |
| 23 |
29 |
|
[SO4]B:302 |
3 |
1 |
185 |
f |
[6RH]B:301 |
x,y,z |
1_555 |
3 |
1 |
444 |
15.5 |
-1.9 |
0.915 |
0 |
0 |
0 |
0.025 |
| 24 |
30 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
[SO4]A:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
10.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.029 |
| 25 |
31 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
[6RH]A:301 |
x,y,z |
1_555 |
1 |
1 |
441 |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
|