| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
A |
46 |
14 |
4135 |
◊ |
B |
z+1/4,y-1/4,-x-1/4 |
21_544 |
41 |
12 |
4505 |
388.8 |
0.2 |
0.593 |
5 |
1 |
0 |
0.000 |
| 2 |
2 |
|
B |
40 |
12 |
4505 |
◊ |
B |
-y+1/4,-x+1/4,-z-3/4 |
14_554 |
41 |
12 |
4505 |
386.8 |
0.5 |
0.652 |
6 |
2 |
0 |
0.000 |
| 3 |
3 |
|
B |
34 |
12 |
4505 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
4135 |
386.0 |
-3.1 |
0.351 |
4 |
0 |
0 |
0.025 |
| 4 |
4 |
|
A |
35 |
9 |
4135 |
◊ |
A |
y+1/4,x-1/4,-z-1/4 |
13_544 |
35 |
9 |
4135 |
338.5 |
-0.6 |
0.668 |
6 |
6 |
0 |
0.019 |
| 5 |
5 |
|
B |
30 |
11 |
4505 |
x |
B |
-z-1/2,-x,y-1/2 |
7_454 |
20 |
8 |
4505 |
263.2 |
-1.0 |
0.321 |
4 |
1 |
0 |
0.029 |
6 |
|
A |
28 |
11 |
4135 |
x |
A |
-z,x-1/2,-y-1/2 |
8_544 |
23 |
7 |
4135 |
248.0 |
-0.6 |
0.543 |
3 |
3 |
0 |
0.029 |
| Average: |
255.6 |
-0.8 |
0.432 |
4 |
2 |
0 |
0.029 |
| 6 |
7 |
|
B |
7 |
3 |
4505 |
◊ |
A |
y+1/4,x-1/4,-z-1/4 |
13_544 |
13 |
5 |
4135 |
76.0 |
-0.6 |
0.421 |
0 |
0 |
0 |
0.003 |
| 7 |
8 |
|
B |
7 |
3 |
4505 |
x |
B |
z+1/4,y-1/4,-x-1/4 |
21_544 |
8 |
3 |
4505 |
72.0 |
0.3 |
0.638 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[ZN]A:1077 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
4135 |
50.7 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.246 |
| 9 |
10 |
|
A |
11 |
5 |
4135 |
f |
[ZN]A:1075 |
-z,x-1/2,-y-1/2 |
8_544 |
1 |
1 |
98 |
45.0 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.274 |
11 |
|
[ZN]B:1076 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
4505 |
44.3 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.274 |
| Average: |
44.6 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.274 |
| 10 |
12 |
|
[ZN]A:1076 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
4135 |
43.9 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.208 |
| 11 |
13 |
|
[ZN]B:1077 |
1 |
1 |
98 |
f |
B |
-z-1/2,-x,y-1/2 |
7_454 |
6 |
3 |
4505 |
43.9 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.254 |
14 |
|
[ZN]A:1074 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
4135 |
36.1 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.254 |
| Average: |
40.0 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.254 |
| 12 |
15 |
|
[ZN]B:1078 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
4505 |
39.9 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.198 |
| 13 |
16 |
|
[ZN]A:1075 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4135 |
30.0 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.117 |
17 |
|
[ZN]B:1076 |
1 |
1 |
98 |
◊ |
B |
-z-1/2,-x,y-1/2 |
7_454 |
5 |
1 |
4505 |
26.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
28.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.117 |
| 14 |
18 |
|
A |
3 |
1 |
4135 |
◊ |
[ZN]A:1074 |
-z,x-1/2,-y-1/2 |
8_544 |
1 |
1 |
98 |
29.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.128 |
19 |
|
[ZN]B:1077 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
4505 |
28.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.128 |
| Average: |
29.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.128 |
| 15 |
20 |
|
[ZN]A:1076 |
1 |
1 |
98 |
◊ |
A |
y+1/4,x-1/4,-z-1/4 |
13_544 |
3 |
1 |
4135 |
29.0 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.111 |
| 16 |
21 |
|
[ZN]A:1074 |
1 |
1 |
98 |
◊ |
B |
y+1/4,x-1/4,-z-1/4 |
13_544 |
3 |
1 |
4505 |
15.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.033 |
| 17 |
22 |
|
A |
1 |
1 |
4135 |
◊ |
B |
-z-1/2,-x,y-1/2 |
7_454 |
2 |
1 |
4505 |
5.5 |
0.2 |
0.731 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[ZN]A:1075 |
1 |
1 |
98 |
x |
[ZN]A:1075 |
-z,x-1/2,-y-1/2 |
8_544 |
1 |
1 |
98 |
2.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.013 |
|