## |
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 |
|
S |
60 |
20 |
9665 |
x |
S |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
53 |
15 |
9665 |
465.0 |
-1.7 |
0.774 |
8 |
0 |
0 |
0.000 |
2 |
|
B |
30 |
4 |
693 |
◊ |
S |
x,y,z |
1_555 |
65 |
31 |
9665 |
439.8 |
-4.9 |
0.679 |
12 |
0 |
0 |
0.234 |
3 |
|
S |
40 |
13 |
9665 |
◊ |
S |
y+1,x-1,-z |
7_645 |
39 |
13 |
9665 |
337.5 |
-6.8 |
0.137 |
4 |
0 |
0 |
0.000 |
4 |
|
S |
29 |
10 |
9665 |
x |
S |
-y-1/2,x-1/2,z+1/4 |
3_445 |
25 |
10 |
9665 |
259.8 |
-0.3 |
0.759 |
4 |
0 |
0 |
0.000 |
5 |
|
S |
31 |
10 |
9665 |
x |
S |
-y+1/2,x-1/2,z+1/4 |
3_545 |
23 |
8 |
9665 |
213.2 |
-2.0 |
0.474 |
2 |
0 |
0 |
0.000 |
6 |
|
S |
25 |
10 |
9665 |
x |
S |
y,x-1,-z |
7_545 |
25 |
8 |
9665 |
205.5 |
-0.8 |
0.687 |
1 |
0 |
0 |
0.000 |
7 |
|
[PEG]S:308 |
7 |
1 |
261 |
f |
S |
x,y,z |
1_555 |
18 |
8 |
9665 |
129.6 |
2.8 |
0.366 |
0 |
0 |
0 |
0.000 |
8 |
|
[EDO]S:304 |
4 |
1 |
183 |
◊ |
S |
x,y,z |
1_555 |
17 |
7 |
9665 |
101.5 |
3.2 |
0.536 |
2 |
0 |
0 |
0.000 |
9 |
|
[EDO]S:307 |
4 |
1 |
186 |
◊ |
S |
x,y,z |
1_555 |
17 |
6 |
9665 |
78.4 |
2.6 |
0.323 |
1 |
0 |
0 |
0.000 |
10 |
|
[EDO]S:306 |
4 |
1 |
184 |
◊ |
S |
x,y,z |
1_555 |
12 |
5 |
9665 |
77.8 |
1.8 |
0.813 |
2 |
0 |
0 |
0.000 |
11 |
|
[EDO]S:305 |
4 |
1 |
184 |
◊ |
S |
x,y,z |
1_555 |
10 |
5 |
9665 |
68.8 |
2.0 |
0.298 |
1 |
0 |
0 |
0.000 |
12 |
|
[NA]S:301 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
12 |
8 |
9665 |
67.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.278 |
13 |
|
[NA]S:302 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
10 |
7 |
9665 |
61.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.208 |
14 |
|
[CL]S:303 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
15 |
7 |
9665 |
56.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.220 |
15 |
|
S |
8 |
3 |
9665 |
◊ |
[EDO]S:305 |
-y-1/2,x-1/2,z+1/4 |
3_445 |
3 |
1 |
184 |
50.7 |
1.3 |
0.825 |
0 |
0 |
0 |
0.000 |
16 |
|
S |
5 |
2 |
9665 |
f |
[EDO]S:307 |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
4 |
1 |
186 |
50.0 |
0.4 |
0.550 |
1 |
0 |
0 |
0.000 |
17 |
|
S |
4 |
2 |
9665 |
◊ |
B |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
4 |
3 |
693 |
49.5 |
-0.5 |
0.453 |
1 |
0 |
0 |
0.000 |
18 |
|
[CL]S:303 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
693 |
30.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.069 |
19 |
|
S |
4 |
2 |
9665 |
◊ |
[EDO]S:307 |
y,x-1,-z |
7_545 |
2 |
1 |
186 |
27.7 |
0.9 |
0.931 |
1 |
0 |
0 |
0.000 |
20 |
|
[NA]S:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
693 |
20.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.055 |
21 |
|
S |
3 |
1 |
9665 |
◊ |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
1 |
693 |
10.2 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]S:306 |
1 |
1 |
184 |
◊ |
[EDO]S:306 |
y+1,x-1,-z |
7_645 |
1 |
1 |
184 |
3.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]S:306 |
1 |
1 |
184 |
f |
S |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
9665 |
2.9 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
24 |
|
[EDO]S:304 |
2 |
1 |
183 |
f |
S |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
1 |
1 |
9665 |
2.6 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]S:305 |
1 |
1 |
184 |
f |
S |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
1 |
1 |
9665 |
0.3 |
0.0 |
0.776 |
0 |
0 |
0 |
0.000 |
|