## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
L |
194 |
55 |
11561 |
◊ |
H |
x,y,z |
1_555 |
182 |
50 |
11251 |
1738.1 |
-21.0 |
0.073 |
12 |
2 |
0 |
0.574 |
2 |
|
L |
106 |
38 |
11561 |
◊ |
L |
-x,-y,z |
2_555 |
106 |
39 |
11561 |
1031.5 |
-7.3 |
0.279 |
4 |
0 |
0 |
0.000 |
3 |
|
H |
48 |
13 |
11251 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
48 |
16 |
11561 |
438.5 |
-1.8 |
0.548 |
5 |
0 |
0 |
0.000 |
4 |
|
H |
33 |
9 |
11251 |
◊ |
L |
x-1/2,-y-1/2,-z-1 |
4_444 |
39 |
13 |
11561 |
294.7 |
-3.6 |
0.311 |
1 |
0 |
0 |
0.115 |
5 |
|
H |
24 |
7 |
11251 |
◊ |
H |
-x-1,-y,z |
2_455 |
24 |
7 |
11251 |
219.1 |
-2.7 |
0.350 |
3 |
0 |
0 |
0.000 |
6 |
|
[EDO]H:304 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
11251 |
92.6 |
3.2 |
0.547 |
3 |
0 |
0 |
0.000 |
7 |
|
[SO4]H:301 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
11251 |
89.4 |
-12.9 |
0.861 |
4 |
0 |
0 |
0.421 |
8 |
|
[SO4]L:301 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
12 |
4 |
11561 |
89.1 |
-12.3 |
0.707 |
0 |
0 |
0 |
0.353 |
9 |
|
H |
9 |
4 |
11251 |
x |
H |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
11251 |
89.0 |
-0.7 |
0.484 |
2 |
0 |
0 |
0.000 |
10 |
|
[EDO]H:302 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
8 |
6 |
11251 |
78.9 |
2.7 |
0.321 |
2 |
0 |
0 |
0.000 |
11 |
|
H |
10 |
4 |
11251 |
◊ |
[SO4]L:301 |
x-1/2,-y-1/2,-z-1 |
4_444 |
4 |
1 |
185 |
61.3 |
-9.0 |
0.712 |
1 |
0 |
0 |
0.271 |
12 |
|
[EDO]L:302 |
4 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
11561 |
50.4 |
1.7 |
0.856 |
0 |
0 |
0 |
0.000 |
13 |
|
L |
4 |
2 |
11561 |
f |
[EDO]L:302 |
-x-1/2,y-1/2,-z |
3_445 |
3 |
1 |
186 |
39.6 |
1.6 |
0.944 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]H:303 |
3 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
6 |
4 |
11561 |
37.3 |
0.8 |
0.615 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]H:303 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
11251 |
33.0 |
1.6 |
0.969 |
0 |
0 |
0 |
0.000 |
16 |
|
L |
5 |
2 |
11561 |
x |
L |
-x-1/2,y-1/2,-z |
3_445 |
5 |
3 |
11561 |
31.5 |
0.6 |
0.750 |
0 |
0 |
0 |
0.000 |
|