| ## |
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 |
59 |
17 |
12035 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
48 |
10 |
12511 |
498.8 |
-5.7 |
0.297 |
6 |
0 |
0 |
0.000 |
| 2 |
2 |
|
[GDU]B:806 |
36 |
1 |
663 |
f |
B |
x,y,z |
1_555 |
72 |
27 |
12511 |
489.9 |
-9.1 |
0.625 |
14 |
0 |
0 |
0.044 |
3 |
|
[GDU]A:404 |
36 |
1 |
661 |
f |
A |
x,y,z |
1_555 |
70 |
25 |
12035 |
486.9 |
-9.5 |
0.605 |
12 |
0 |
0 |
0.044 |
| Average: |
488.4 |
-9.3 |
0.615 |
13 |
0 |
0 |
0.044 |
| 3 |
4 |
|
A |
46 |
16 |
12035 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
48 |
14 |
12511 |
468.6 |
-0.8 |
0.644 |
2 |
3 |
0 |
0.000 |
| 4 |
5 |
|
A |
50 |
11 |
12035 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
44 |
10 |
12511 |
440.1 |
-2.9 |
0.502 |
6 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
17 |
5 |
12035 |
x |
A |
x-1,y,z |
1_455 |
20 |
6 |
12035 |
170.2 |
-1.9 |
0.405 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
10 |
4 |
12511 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
7 |
12511 |
159.3 |
0.8 |
0.780 |
1 |
1 |
0 |
0.000 |
| 7 |
8 |
|
[MES]A:900 |
11 |
1 |
340 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
12035 |
157.3 |
4.5 |
0.244 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[DIO]A:905 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
12035 |
121.7 |
3.2 |
0.179 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[DIO]B:906 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
12511 |
110.7 |
3.5 |
0.221 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[SO4]A:903 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
12035 |
80.8 |
-11.0 |
0.893 |
5 |
0 |
0 |
0.040 |
| 11 |
12 |
|
[SO4]B:902 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
12511 |
77.6 |
-10.9 |
0.812 |
4 |
0 |
0 |
0.025 |
| 12 |
13 |
|
[SO4]B:901 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12511 |
66.0 |
-8.8 |
0.777 |
1 |
0 |
0 |
0.018 |
| 13 |
14 |
|
[SO4]B:904 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12511 |
64.0 |
-7.8 |
0.835 |
1 |
0 |
0 |
0.016 |
| 14 |
15 |
|
[MN]A:403 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12035 |
51.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.013 |
16 |
|
[MN]B:805 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12511 |
50.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
50.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| 15 |
17 |
|
[MN]B:805 |
1 |
1 |
123 |
f |
[GDU]B:806 |
x,y,z |
1_555 |
7 |
1 |
663 |
43.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.012 |
18 |
|
[MN]A:403 |
1 |
1 |
123 |
f |
[GDU]A:404 |
x,y,z |
1_555 |
6 |
1 |
661 |
42.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
42.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 16 |
19 |
|
A |
3 |
1 |
12035 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
12035 |
32.3 |
-1.2 |
0.104 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[MES]A:900 |
2 |
1 |
340 |
f |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
12511 |
9.0 |
0.3 |
0.264 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[SO4]A:903 |
1 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
12511 |
8.3 |
-0.9 |
0.811 |
0 |
0 |
0 |
0.000 |
|