| ## |
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 |
78 |
26 |
10740 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
74 |
25 |
10554 |
845.7 |
-4.9 |
0.352 |
11 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
41 |
12 |
10740 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
42 |
14 |
10554 |
281.8 |
-0.9 |
0.568 |
3 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
30 |
11 |
10740 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
10 |
10554 |
279.1 |
-2.9 |
0.252 |
1 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
20 |
7 |
10554 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
10740 |
210.2 |
-1.9 |
0.310 |
2 |
2 |
0 |
0.000 |
| 5 |
5 |
|
A |
18 |
7 |
10740 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
18 |
6 |
10554 |
160.9 |
0.8 |
0.710 |
3 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
14 |
5 |
10554 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
13 |
3 |
10554 |
100.8 |
-0.4 |
0.533 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[SO4]A:311 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
10740 |
96.1 |
-13.4 |
0.910 |
4 |
0 |
0 |
0.027 |
| 8 |
8 |
|
B |
11 |
3 |
10554 |
x |
B |
x-1,y,z |
1_455 |
11 |
4 |
10554 |
93.3 |
1.8 |
0.848 |
1 |
0 |
0 |
0.000 |
9 |
|
A |
5 |
2 |
10740 |
x |
A |
x-1,y,z |
1_455 |
9 |
4 |
10740 |
82.1 |
2.2 |
0.855 |
2 |
0 |
0 |
0.000 |
| Average: |
87.7 |
2.0 |
0.852 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[AZI]B:306 |
3 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
10554 |
90.5 |
-0.4 |
0.384 |
0 |
0 |
0 |
0.000 |
11 |
|
[AZI]A:305 |
3 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
10740 |
90.0 |
0.7 |
0.588 |
0 |
0 |
0 |
0.000 |
| Average: |
90.2 |
0.2 |
0.486 |
0 |
0 |
0 |
0.001 |
| 10 |
12 |
|
[BME]B:304 |
4 |
1 |
204 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10554 |
88.9 |
-2.0 |
0.350 |
2 |
0 |
0 |
0.005 |
13 |
|
[BME]A:303 |
4 |
1 |
204 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
10740 |
88.0 |
-2.0 |
0.367 |
2 |
0 |
0 |
0.005 |
| Average: |
88.5 |
-2.0 |
0.359 |
2 |
0 |
0 |
0.005 |
| 11 |
14 |
|
[SO4]B:312 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10554 |
88.8 |
-12.2 |
0.912 |
4 |
0 |
0 |
0.024 |
| 12 |
15 |
|
B |
16 |
6 |
10554 |
x |
B |
-x,y-1/2,-z+2 |
2_547 |
11 |
3 |
10554 |
80.4 |
-0.4 |
0.553 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
A |
5 |
1 |
10740 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
10740 |
49.1 |
-0.2 |
0.551 |
0 |
1 |
0 |
0.000 |
| 14 |
17 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
10740 |
38.8 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.050 |
18 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
10554 |
38.5 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
38.6 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.050 |
| 15 |
19 |
|
A |
6 |
3 |
10740 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
10554 |
35.5 |
1.5 |
0.858 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[AZI]B:306 |
2 |
1 |
160 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.020 |
21 |
|
[AZI]A:305 |
2 |
1 |
159 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
27.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| 17 |
22 |
|
A |
4 |
2 |
10740 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
10740 |
24.7 |
0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[SO4]B:312 |
3 |
1 |
189 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
4 |
10554 |
17.7 |
-2.4 |
0.748 |
0 |
0 |
0 |
0.000 |
|