| ## |
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 |
74 |
23 |
9902 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
86 |
29 |
10035 |
757.0 |
-7.5 |
0.253 |
3 |
0 |
0 |
0.004 |
| 2 |
2 |
|
A |
56 |
17 |
9902 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
57 |
17 |
9902 |
518.9 |
-5.5 |
0.273 |
6 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[MCI]B:551 |
28 |
1 |
649 |
f |
B |
x,y,z |
1_555 |
63 |
21 |
10035 |
423.8 |
-6.9 |
0.196 |
2 |
0 |
0 |
0.009 |
| 4 |
4 |
|
[MCI]A:550 |
29 |
1 |
655 |
f |
A |
x,y,z |
1_555 |
62 |
21 |
9902 |
421.6 |
-6.6 |
0.207 |
5 |
0 |
0 |
0.009 |
| 5 |
5 |
|
B |
44 |
13 |
10035 |
x |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
45 |
16 |
10035 |
401.9 |
-3.8 |
0.321 |
5 |
1 |
0 |
0.000 |
| 6 |
6 |
|
A |
29 |
6 |
9902 |
x |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
27 |
7 |
9902 |
242.0 |
-0.9 |
0.568 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
B |
15 |
6 |
10035 |
x |
B |
-x+2,y-1/2,-z+3/2 |
3_746 |
10 |
2 |
10035 |
88.4 |
-0.3 |
0.608 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
A |
6 |
4 |
9902 |
◊ |
[MCI]B:551 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
649 |
69.9 |
-0.9 |
0.300 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[SO4]A:501 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9902 |
62.0 |
-7.1 |
0.929 |
4 |
0 |
0 |
0.009 |
| 10 |
10 |
|
[MCI]A:550 |
5 |
1 |
655 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
10035 |
53.6 |
-0.5 |
0.521 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[SO4]A:501 |
4 |
1 |
187 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
5 |
2 |
9902 |
48.8 |
-6.0 |
0.911 |
3 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
10035 |
34.4 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.048 |
13 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9902 |
34.0 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.048 |
14 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
9902 |
33.1 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
33.8 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.048 |
| 13 |
15 |
|
[ZN]B:505 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10035 |
33.8 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.026 |
| 14 |
16 |
|
[MCI]A:550 |
6 |
1 |
655 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.014 |
17 |
|
[MCI]B:551 |
7 |
1 |
649 |
f |
[ZN]B:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
29.1 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 15 |
18 |
|
[MCI]A:550 |
2 |
1 |
655 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.012 |
19 |
|
[MCI]B:551 |
2 |
1 |
649 |
f |
[ZN]B:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
27.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.012 |
| 16 |
20 |
|
[ZN]B:505 |
1 |
1 |
98 |
f |
[ZN]B:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 17 |
21 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.009 |
|