## |
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 |
147 |
41 |
11054 |
◊ |
A |
x,y,z |
1_555 |
140 |
39 |
10930 |
1396.3 |
-14.8 |
0.269 |
14 |
10 |
0 |
0.166 |
2 |
2 |
|
B |
76 |
22 |
11054 |
x |
B |
-y+1,x,z+1/4 |
3_655 |
79 |
25 |
11054 |
709.5 |
-2.1 |
0.647 |
9 |
6 |
0 |
0.000 |
3 |
|
A |
75 |
23 |
10930 |
x |
A |
-y,x,z+1/4 |
3_555 |
71 |
23 |
10930 |
672.4 |
-1.9 |
0.717 |
9 |
5 |
0 |
0.000 |
Average: |
690.9 |
-2.0 |
0.682 |
9 |
6 |
0 |
0.000 |
3 |
4 |
|
A |
38 |
13 |
10930 |
◊ |
B |
x,y,z-1 |
1_554 |
39 |
11 |
11054 |
353.7 |
-6.2 |
0.176 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
26 |
12 |
11054 |
125.5 |
-19.6 |
0.621 |
1 |
0 |
0 |
0.148 |
5 |
6 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
10930 |
125.2 |
-19.8 |
0.600 |
2 |
0 |
0 |
0.153 |
6 |
7 |
|
[EDO]B:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
11054 |
91.0 |
1.6 |
0.216 |
3 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10930 |
88.7 |
1.8 |
0.265 |
4 |
0 |
0 |
0.000 |
8 |
9 |
|
[IPA]A:302 |
3 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
10930 |
75.1 |
2.0 |
0.273 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
11054 |
73.8 |
1.5 |
0.236 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[IPA]B:302 |
4 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
13 |
2 |
11054 |
63.2 |
1.3 |
0.733 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[ZN]B:300 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
6 |
3 |
11054 |
35.7 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.387 |
13 |
|
[ZN]A:300 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
3 |
10930 |
35.5 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.387 |
Average: |
35.6 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.387 |
12 |
14 |
|
[EDO]B:304 |
3 |
1 |
185 |
f |
[EDO]B:303 |
x,y,z |
1_555 |
2 |
1 |
185 |
34.8 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
A |
3 |
1 |
10930 |
x |
A |
-y+1,x,z+1/4 |
3_655 |
3 |
1 |
10930 |
34.2 |
-0.2 |
0.196 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]B:305 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
11054 |
31.8 |
0.7 |
0.809 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[ZN]B:300 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10930 |
31.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.191 |
18 |
|
[ZN]A:300 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11054 |
31.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.191 |
Average: |
31.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.191 |
16 |
19 |
|
A |
8 |
2 |
10930 |
f |
[EDO]B:305 |
-x+1,-y,z-1/2 |
2_654 |
2 |
1 |
184 |
25.4 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
B |
2 |
1 |
11054 |
◊ |
A |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
10930 |
20.9 |
0.5 |
0.853 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
3 |
1 |
11054 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
3 |
1 |
10930 |
20.8 |
0.7 |
0.850 |
0 |
0 |
0 |
0.000 |
Average: |
20.9 |
0.6 |
0.851 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]A:303 |
2 |
1 |
185 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
3 |
2 |
10930 |
10.3 |
0.6 |
0.925 |
0 |
0 |
0 |
0.000 |
|