## |
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 |
177 |
48 |
10672 |
◊ |
H |
x,y,z |
1_555 |
167 |
45 |
10662 |
1516.2 |
-24.1 |
0.181 |
13 |
0 |
0 |
0.927 |
2 |
|
A |
149 |
42 |
18443 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
149 |
42 |
18443 |
1466.3 |
-20.8 |
0.098 |
8 |
2 |
0 |
0.633 |
3 |
|
V |
109 |
20 |
3200 |
◊ |
A |
x,y,z |
1_555 |
131 |
41 |
18443 |
1271.4 |
-23.8 |
0.984 |
34 |
1 |
0 |
0.845 |
4 |
|
A |
80 |
23 |
18443 |
◊ |
A |
-x+1/2,y,-z |
7_555 |
80 |
23 |
18443 |
781.1 |
-7.0 |
0.423 |
12 |
2 |
0 |
0.047 |
5 |
|
H |
61 |
11 |
10662 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
18443 |
569.6 |
-7.4 |
0.356 |
6 |
0 |
0 |
0.113 |
6 |
|
H |
29 |
11 |
10662 |
◊ |
H |
-x-1/2,y,-z |
7_455 |
29 |
11 |
10662 |
245.9 |
1.4 |
0.927 |
4 |
0 |
0 |
0.000 |
7 |
|
L |
20 |
8 |
10672 |
◊ |
L |
x,-y,-z-1/2 |
8_554 |
20 |
8 |
10672 |
216.5 |
3.5 |
0.962 |
4 |
4 |
0 |
0.000 |
8 |
|
V |
21 |
7 |
3200 |
◊ |
A |
-x,-y+1/2,z |
6_555 |
20 |
8 |
18443 |
207.2 |
-3.6 |
0.790 |
1 |
0 |
0 |
0.075 |
9 |
|
A |
12 |
6 |
18443 |
◊ |
A |
-x,-y+1/2,z |
6_555 |
12 |
6 |
18443 |
142.9 |
-4.5 |
0.034 |
0 |
0 |
0 |
0.041 |
10 |
|
V |
14 |
4 |
3200 |
◊ |
V |
-x,-y+1/2,z |
6_555 |
14 |
4 |
3200 |
139.5 |
-3.8 |
0.911 |
0 |
0 |
0 |
0.035 |
11 |
|
L |
14 |
6 |
10672 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
18443 |
122.8 |
0.3 |
0.507 |
0 |
0 |
0 |
0.000 |
12 |
|
[EDO]H:302 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
10662 |
93.7 |
2.3 |
0.477 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]H:303 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
10662 |
88.2 |
2.7 |
0.524 |
2 |
0 |
0 |
0.000 |
14 |
|
[EDO]L:302 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
13 |
6 |
10672 |
83.1 |
2.0 |
0.269 |
1 |
0 |
0 |
0.000 |
15 |
|
[EDO]L:301 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
10672 |
81.5 |
2.2 |
0.286 |
2 |
0 |
0 |
0.000 |
16 |
|
L |
8 |
5 |
10672 |
◊ |
V |
x,y,z |
1_555 |
4 |
1 |
3200 |
73.2 |
-3.6 |
0.232 |
4 |
0 |
0 |
0.061 |
17 |
|
[EDO]H:304 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
10662 |
69.8 |
2.0 |
0.949 |
3 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:402 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
14 |
4 |
10662 |
67.0 |
1.6 |
0.293 |
0 |
0 |
0 |
0.000 |
19 |
|
[EDO]H:304 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
18443 |
66.2 |
1.0 |
0.237 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:402 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
18443 |
66.1 |
2.0 |
0.503 |
2 |
0 |
0 |
0.000 |
21 |
|
[CL]H:301 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
10662 |
64.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.249 |
22 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
18443 |
55.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.392 |
23 |
|
L |
6 |
3 |
10672 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
8 |
5 |
18443 |
49.1 |
0.6 |
0.769 |
0 |
0 |
0 |
0.000 |
24 |
|
L |
4 |
2 |
10672 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
18443 |
43.0 |
-0.8 |
0.351 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]H:303 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18443 |
38.5 |
0.9 |
0.832 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]H:304 |
3 |
1 |
186 |
f |
[EDO]A:402 |
x,y,z |
1_555 |
3 |
1 |
186 |
29.2 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]L:302 |
2 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
4 |
2 |
10662 |
24.6 |
0.4 |
0.849 |
1 |
0 |
0 |
0.002 |
28 |
|
A |
3 |
3 |
18443 |
◊ |
A |
-x,-y-1/2,z |
6_545 |
3 |
3 |
18443 |
18.6 |
-0.2 |
0.509 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]L:302 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
18443 |
14.1 |
0.4 |
0.663 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]H:302 |
1 |
1 |
185 |
f |
[CL]H:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.021 |
31 |
|
[CL]H:301 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
10672 |
6.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
|