## |
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 |
|
B |
213 |
63 |
13449 |
◊ |
A |
x,y,z |
1_555 |
208 |
61 |
11674 |
1947.8 |
-24.2 |
0.042 |
28 |
4 |
1 |
1.000 |
2 |
|
L |
144 |
36 |
6601 |
◊ |
H |
x,y,z |
1_555 |
143 |
46 |
15326 |
1393.6 |
-9.9 |
0.249 |
21 |
8 |
0 |
0.094 |
3 |
|
P |
63 |
10 |
1404 |
◊ |
H |
x,y,z |
1_555 |
125 |
37 |
15326 |
853.4 |
-13.5 |
0.251 |
12 |
2 |
0 |
0.081 |
4 |
|
A |
71 |
26 |
11674 |
◊ |
A |
-x,y,-z+1 |
2_556 |
72 |
26 |
11674 |
683.1 |
-2.7 |
0.548 |
5 |
0 |
0 |
0.000 |
5 |
|
B |
69 |
19 |
13449 |
◊ |
L |
-x-1/2,y-1/2,-z+1 |
4_446 |
64 |
16 |
6601 |
631.4 |
1.1 |
0.790 |
12 |
0 |
0 |
0.000 |
6 |
|
A |
47 |
14 |
11674 |
◊ |
H |
x,y,z |
1_555 |
49 |
15 |
15326 |
395.6 |
-2.6 |
0.365 |
1 |
4 |
0 |
0.014 |
7 |
|
B |
38 |
13 |
13449 |
◊ |
H |
x,y,z |
1_555 |
39 |
11 |
15326 |
351.5 |
-3.6 |
0.266 |
1 |
0 |
0 |
0.016 |
8 |
|
L |
41 |
11 |
6601 |
◊ |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
32 |
9 |
15326 |
333.5 |
-2.3 |
0.267 |
5 |
0 |
0 |
0.000 |
9 |
|
H |
43 |
13 |
15326 |
◊ |
L |
-x-1/2,y-1/2,-z+1 |
4_446 |
35 |
9 |
6601 |
316.5 |
-0.8 |
0.563 |
5 |
1 |
0 |
0.000 |
10 |
|
B |
33 |
11 |
13449 |
◊ |
B |
-x,y,-z+2 |
2_557 |
33 |
11 |
13449 |
243.6 |
-0.7 |
0.625 |
2 |
0 |
0 |
0.000 |
11 |
|
B |
27 |
10 |
13449 |
◊ |
P |
x,y,z |
1_555 |
22 |
7 |
1404 |
195.1 |
-3.4 |
0.407 |
1 |
0 |
0 |
0.016 |
12 |
|
B |
24 |
8 |
13449 |
◊ |
A |
-x,y,-z+2 |
2_557 |
19 |
5 |
11674 |
193.5 |
-0.9 |
0.501 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
23 |
8 |
11674 |
◊ |
P |
x,y,z |
1_555 |
15 |
5 |
1404 |
149.0 |
-1.2 |
0.678 |
2 |
0 |
0 |
0.007 |
14 |
|
[K]H:302 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
27 |
10 |
15326 |
135.6 |
-82.9 |
0.000 |
0 |
0 |
0 |
0.382 |
15 |
|
[K]H:303 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
17 |
5 |
15326 |
108.5 |
-71.2 |
0.000 |
0 |
0 |
0 |
0.328 |
16 |
|
[SCN]H:301 |
3 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
15 |
7 |
6601 |
86.0 |
-1.3 |
0.660 |
1 |
0 |
0 |
0.100 |
17 |
|
H |
7 |
2 |
15326 |
x |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
10 |
6 |
15326 |
79.2 |
-2.0 |
0.141 |
0 |
0 |
0 |
0.000 |
18 |
|
B |
9 |
3 |
13449 |
◊ |
H |
x,y-1,z |
1_545 |
11 |
4 |
15326 |
76.9 |
1.0 |
0.768 |
1 |
2 |
0 |
0.000 |
19 |
|
[CL]H:304 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
15326 |
69.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.043 |
20 |
|
[SCN]H:301 |
3 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
15326 |
40.4 |
-0.9 |
0.765 |
1 |
0 |
0 |
0.006 |
21 |
|
[K]H:303 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
6 |
4 |
6601 |
35.8 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.077 |
22 |
|
A |
6 |
2 |
11674 |
◊ |
H |
-x,y,-z+1 |
2_556 |
3 |
2 |
15326 |
27.4 |
0.5 |
0.736 |
0 |
0 |
0 |
0.000 |
23 |
|
[K]H:303 |
1 |
1 |
216 |
f |
[K]H:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.4 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.062 |
24 |
|
[CL]H:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13449 |
7.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
|