| ## |
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 |
|
H |
227 |
60 |
15435 |
◊ |
L |
x,y,z |
1_555 |
234 |
64 |
11489 |
2099.2 |
-29.1 |
0.058 |
8 |
3 |
1 |
0.558 |
2 |
|
L |
63 |
21 |
11489 |
◊ |
L |
-x,y,-z |
2_555 |
63 |
21 |
11489 |
596.8 |
-0.8 |
0.754 |
1 |
0 |
0 |
0.026 |
3 |
|
L |
42 |
15 |
11489 |
◊ |
H |
-x-1/2,y-1/2,-z |
4_445 |
41 |
14 |
15435 |
373.7 |
0.5 |
0.775 |
2 |
0 |
0 |
0.000 |
4 |
|
H |
28 |
7 |
15435 |
x |
H |
-x-1/2,y-1/2,-z |
4_445 |
40 |
14 |
15435 |
287.4 |
-0.5 |
0.659 |
2 |
0 |
0 |
0.000 |
5 |
|
H |
27 |
6 |
15435 |
x |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
29 |
13 |
15435 |
264.4 |
-0.2 |
0.678 |
0 |
0 |
0 |
0.000 |
6 |
|
H |
21 |
8 |
15435 |
◊ |
H |
-x,y,-z |
2_555 |
21 |
8 |
15435 |
173.9 |
-2.3 |
0.359 |
0 |
0 |
0 |
0.014 |
7 |
|
[MPD]H:301 |
7 |
1 |
274 |
f |
H |
x,y,z |
1_555 |
27 |
12 |
15435 |
173.3 |
-12.2 |
0.539 |
0 |
0 |
0 |
0.184 |
8 |
|
L |
19 |
6 |
11489 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
7 |
15435 |
156.1 |
-0.4 |
0.598 |
1 |
0 |
0 |
0.000 |
9 |
|
H |
11 |
4 |
15435 |
x |
H |
x-1/2,y-1/2,z |
3_445 |
15 |
5 |
15435 |
138.9 |
-2.3 |
0.234 |
0 |
0 |
0 |
0.000 |
10 |
|
[MPD]L:301 |
7 |
1 |
276 |
f |
L |
x,y,z |
1_555 |
20 |
10 |
11489 |
138.2 |
-8.3 |
0.783 |
0 |
0 |
0 |
0.337 |
11 |
|
H |
14 |
3 |
15435 |
x |
H |
x-1,y,z-1 |
1_454 |
17 |
6 |
15435 |
133.7 |
-1.0 |
0.494 |
0 |
0 |
0 |
0.000 |
12 |
|
H |
10 |
3 |
15435 |
◊ |
H |
-x,y,-z+1 |
2_556 |
11 |
3 |
15435 |
104.4 |
-1.8 |
0.265 |
0 |
0 |
0 |
0.000 |
13 |
|
H |
10 |
4 |
15435 |
◊ |
H |
-x-1,y,-z |
2_455 |
10 |
4 |
15435 |
98.8 |
-0.5 |
0.527 |
0 |
0 |
0 |
0.000 |
14 |
|
[MPD]L:302 |
6 |
1 |
277 |
f |
L |
-x,y,-z |
2_555 |
18 |
7 |
11489 |
98.7 |
-5.5 |
0.869 |
0 |
0 |
0 |
0.221 |
15 |
|
H |
9 |
4 |
15435 |
◊ |
L |
-x,y,-z |
2_555 |
10 |
6 |
11489 |
83.8 |
0.5 |
0.713 |
0 |
2 |
0 |
0.000 |
16 |
|
L |
11 |
4 |
11489 |
x |
L |
-x-1/2,y-1/2,-z |
4_445 |
10 |
2 |
11489 |
71.1 |
-0.5 |
0.546 |
0 |
0 |
0 |
0.000 |
17 |
|
[MPD]L:302 |
6 |
1 |
277 |
◊ |
H |
-x,y,-z |
2_555 |
10 |
4 |
15435 |
61.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.050 |
18 |
|
[MPD]L:301 |
5 |
1 |
276 |
◊ |
L |
-x,y,-z |
2_555 |
9 |
5 |
11489 |
61.4 |
-3.7 |
0.589 |
0 |
0 |
0 |
0.150 |
19 |
|
[MPD]L:302 |
4 |
1 |
277 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
11489 |
51.2 |
-2.7 |
0.592 |
0 |
0 |
0 |
0.109 |
20 |
|
[MPD]L:302 |
3 |
1 |
277 |
◊ |
[MPD]L:301 |
x,y,z |
1_555 |
5 |
1 |
276 |
40.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.157 |
21 |
|
L |
2 |
1 |
11489 |
◊ |
H |
x-1,y,z-1 |
1_454 |
4 |
1 |
15435 |
26.0 |
-1.2 |
0.088 |
0 |
0 |
0 |
0.000 |
22 |
|
[MPD]L:301 |
1 |
1 |
276 |
◊ |
H |
-x,y,-z |
2_555 |
1 |
1 |
15435 |
4.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|