## |
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 |
|
P |
32 |
6 |
860 |
◊ |
H |
x,y,z |
1_555 |
58 |
13 |
10215 |
390.5 |
-3.6 |
0.433 |
5 |
0 |
0 |
0.000 |
2 |
|
H |
32 |
7 |
10215 |
x |
H |
x-1,y,z |
1_455 |
38 |
16 |
10215 |
365.5 |
0.5 |
0.696 |
7 |
0 |
0 |
0.000 |
3 |
|
H |
38 |
12 |
10215 |
x |
H |
x-1/2,-y-1/2,-z |
4_445 |
38 |
12 |
10215 |
299.5 |
-2.2 |
0.432 |
4 |
0 |
0 |
0.000 |
4 |
|
H |
31 |
13 |
10215 |
x |
H |
-x+1/2,-y,z-1/2 |
2_554 |
34 |
11 |
10215 |
290.7 |
-2.2 |
0.426 |
7 |
0 |
0 |
0.000 |
5 |
|
[EEN]P:101 |
12 |
1 |
383 |
cf |
P |
x,y,z |
1_555 |
17 |
6 |
860 |
133.2 |
3.7 |
0.514 |
0 |
0 |
0 |
0.000 |
6 |
|
H |
10 |
4 |
10215 |
x |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
6 |
10215 |
128.2 |
0.6 |
0.730 |
2 |
1 |
0 |
0.000 |
7 |
|
[EDO]H:1201 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
17 |
8 |
10215 |
114.6 |
3.7 |
0.496 |
3 |
0 |
0 |
0.000 |
8 |
|
[EDO]H:1208 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
17 |
6 |
10215 |
99.2 |
3.3 |
0.512 |
3 |
0 |
0 |
0.000 |
9 |
|
[EDO]H:1203 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
10 |
6 |
10215 |
85.5 |
2.5 |
0.461 |
1 |
0 |
0 |
0.000 |
10 |
|
[EDO]H:1204 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
11 |
5 |
10215 |
83.2 |
2.3 |
0.310 |
4 |
0 |
0 |
0.000 |
11 |
|
[EDO]H:1202 |
4 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
10215 |
82.1 |
2.3 |
0.385 |
1 |
0 |
0 |
0.000 |
12 |
|
[EDO]H:1205 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
10215 |
76.1 |
1.8 |
0.212 |
1 |
0 |
0 |
0.000 |
13 |
|
[EDO]H:1207 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
15 |
4 |
10215 |
74.2 |
2.1 |
0.264 |
0 |
0 |
0 |
0.000 |
14 |
|
H |
12 |
6 |
10215 |
f |
[EDO]H:1210 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
186 |
73.1 |
2.0 |
0.256 |
2 |
0 |
0 |
0.000 |
15 |
|
[EDO]H:1207 |
4 |
1 |
184 |
f |
H |
x-1/2,-y-1/2,-z |
4_445 |
10 |
4 |
10215 |
67.4 |
1.6 |
0.767 |
1 |
0 |
0 |
0.000 |
16 |
|
[EDO]H:1206 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
10215 |
64.7 |
1.7 |
0.757 |
1 |
0 |
0 |
0.000 |
17 |
|
[EDO]H:1209 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
10215 |
64.3 |
1.5 |
0.641 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]H:1209 |
4 |
1 |
185 |
f |
H |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
4 |
10215 |
59.6 |
1.2 |
0.686 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]H:1203 |
4 |
1 |
184 |
f |
P |
x,y,z |
1_555 |
10 |
4 |
860 |
57.0 |
0.6 |
0.763 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]H:1206 |
4 |
1 |
185 |
◊ |
[EDO]H:1210 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
186 |
49.9 |
2.1 |
1.000 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]H:1206 |
3 |
1 |
185 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
12 |
4 |
10215 |
40.6 |
1.0 |
0.788 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]H:1208 |
3 |
1 |
184 |
f |
H |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
10215 |
39.0 |
0.9 |
0.660 |
0 |
0 |
0 |
0.000 |
23 |
|
H |
3 |
1 |
10215 |
◊ |
P |
x-1,y,z |
1_455 |
7 |
2 |
860 |
36.7 |
0.2 |
0.730 |
0 |
0 |
0 |
0.000 |
24 |
|
[EEN]P:101 |
4 |
1 |
383 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
10215 |
36.1 |
0.7 |
0.438 |
1 |
0 |
0 |
0.000 |
25 |
|
[EDO]H:1210 |
3 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
10215 |
34.8 |
1.4 |
0.305 |
0 |
0 |
0 |
0.000 |
26 |
|
H |
5 |
2 |
10215 |
f |
[EDO]H:1202 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
183 |
32.5 |
0.5 |
0.736 |
2 |
0 |
0 |
0.000 |
27 |
|
[EDO]H:1205 |
2 |
1 |
184 |
f |
H |
x-1,y,z |
1_455 |
5 |
2 |
10215 |
32.4 |
0.4 |
0.625 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]H:1204 |
1 |
1 |
185 |
f |
H |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
10215 |
17.2 |
-0.1 |
0.374 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]H:1204 |
1 |
1 |
185 |
◊ |
[EDO]H:1203 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.9 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]H:1209 |
2 |
1 |
185 |
f |
[EDO]H:1206 |
x,y,z |
1_555 |
1 |
1 |
185 |
6.5 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[EEN]P:101 |
1 |
1 |
383 |
f |
[EDO]H:1203 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.9 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|