| ## |
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 |
|
B |
174 |
45 |
8988 |
◊ |
A |
x,y,z |
1_555 |
177 |
47 |
9105 |
1657.1 |
-20.5 |
0.033 |
28 |
0 |
0 |
0.354 |
| 2 |
2 |
|
A |
50 |
14 |
9105 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
58 |
17 |
9105 |
472.5 |
-2.3 |
0.448 |
4 |
1 |
0 |
0.000 |
| 3 |
3 |
|
B |
47 |
19 |
8988 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
35 |
11 |
9105 |
403.4 |
-1.3 |
0.507 |
3 |
2 |
0 |
0.000 |
| 4 |
4 |
|
A |
14 |
5 |
9105 |
x |
A |
x-1,y,z |
1_455 |
16 |
5 |
9105 |
154.4 |
-3.1 |
0.107 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
12 |
5 |
8988 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
2 |
8988 |
96.7 |
-1.0 |
0.378 |
1 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[SO4]B:501 |
5 |
1 |
183 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
4 |
9105 |
90.5 |
-12.6 |
0.815 |
5 |
0 |
0 |
0.160 |
| 7 |
7 |
|
[EDO]A:403 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
9105 |
89.5 |
2.2 |
0.279 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[EDO]A:401 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
9105 |
89.2 |
3.2 |
0.514 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8988 |
78.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.235 |
10 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
9105 |
76.4 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.235 |
| Average: |
77.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.235 |
| 10 |
11 |
|
[SO4]B:502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
8988 |
76.3 |
-11.7 |
0.689 |
4 |
0 |
0 |
0.145 |
| 11 |
12 |
|
[EDO]A:401 |
4 |
1 |
184 |
f |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
13 |
7 |
9105 |
64.2 |
1.4 |
0.819 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9105 |
53.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.071 |
| 13 |
14 |
|
[SO4]B:501 |
5 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
8988 |
48.1 |
-5.9 |
0.702 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9105 |
41.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.047 |
| 15 |
16 |
|
B |
3 |
1 |
8988 |
x |
B |
x-1,y,z |
1_455 |
4 |
2 |
8988 |
27.1 |
0.6 |
0.800 |
1 |
1 |
0 |
0.000 |
| 16 |
17 |
|
A |
2 |
1 |
9105 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
8988 |
23.1 |
0.2 |
0.601 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]A:403 |
3 |
1 |
183 |
f |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
9105 |
16.1 |
0.6 |
0.886 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
B |
2 |
1 |
8988 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
9105 |
12.1 |
0.4 |
0.832 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
B |
1 |
1 |
8988 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
8988 |
3.3 |
-0.1 |
0.482 |
0 |
0 |
0 |
0.000 |
|