| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
70 |
21 |
8441 |
◊ |
A |
-x,-y,z |
2_555 |
70 |
21 |
8441 |
738.1 |
-9.3 |
0.104 |
4 |
0 |
0 |
0.006 |
2 |
|
[CSC]A:214 |
21 |
1 |
486 |
f |
A |
x,y,z |
1_555 |
44 |
18 |
8441 |
316.8 |
-0.7 |
0.497 |
9 |
0 |
0 |
0.005 |
3 |
|
A |
32 |
8 |
8441 |
x |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
28 |
12 |
8441 |
253.7 |
2.0 |
0.743 |
4 |
4 |
0 |
0.000 |
4 |
|
A |
29 |
9 |
8441 |
x |
A |
x,y,z-1 |
1_554 |
29 |
8 |
8441 |
250.3 |
0.5 |
0.696 |
4 |
0 |
0 |
0.000 |
5 |
|
A |
13 |
6 |
8441 |
x |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
18 |
5 |
8441 |
157.6 |
-3.0 |
0.138 |
0 |
0 |
0 |
0.000 |
6 |
|
[EDO]A:203 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
8441 |
116.9 |
3.3 |
0.464 |
1 |
0 |
0 |
0.000 |
7 |
|
[EDO]A:212 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
8441 |
111.8 |
2.8 |
0.446 |
2 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:204 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
8441 |
109.9 |
3.6 |
0.630 |
3 |
0 |
0 |
0.000 |
9 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
8441 |
108.9 |
-18.6 |
0.635 |
9 |
0 |
0 |
0.025 |
10 |
|
[EDO]A:209 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
8441 |
95.6 |
2.3 |
0.430 |
4 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:206 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
8441 |
87.3 |
2.5 |
0.267 |
1 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:210 |
4 |
1 |
181 |
◊ |
A |
x,y,z-1 |
1_554 |
19 |
5 |
8441 |
82.4 |
2.3 |
0.266 |
2 |
0 |
0 |
0.000 |
13 |
|
A |
16 |
6 |
8441 |
f |
[EDO]A:205 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
78.1 |
2.1 |
0.284 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:207 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
8441 |
76.9 |
1.5 |
0.740 |
4 |
0 |
0 |
0.000 |
15 |
|
[SO4]A:202 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
8441 |
74.5 |
-9.9 |
0.735 |
2 |
0 |
0 |
0.012 |
16 |
|
[EDO]A:205 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8441 |
67.8 |
2.1 |
0.300 |
2 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:211 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
8441 |
66.3 |
2.0 |
0.921 |
3 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:213 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
8441 |
65.2 |
1.2 |
0.698 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:208 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8441 |
63.7 |
2.0 |
0.908 |
3 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:210 |
3 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8441 |
51.2 |
1.7 |
0.281 |
2 |
0 |
0 |
0.000 |
21 |
|
[ZN]A:217 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
8441 |
43.6 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.027 |
22 |
|
[ZN]A:216 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8441 |
40.7 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.023 |
23 |
|
[ZN]A:215 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
8441 |
36.2 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.019 |
24 |
|
[EDO]A:212 |
2 |
1 |
188 |
f |
[EDO]A:204 |
x,y,z |
1_555 |
2 |
1 |
185 |
13.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:210 |
2 |
1 |
181 |
f |
[EDO]A:205 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
13.0 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[CSC]A:214 |
1 |
1 |
486 |
f |
[EDO]A:207 |
x,y,z |
1_555 |
2 |
1 |
182 |
10.5 |
0.0 |
0.488 |
0 |
0 |
0 |
0.000 |
27 |
|
[ZN]A:217 |
1 |
1 |
98 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
2 |
1 |
8441 |
10.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
1 |
1 |
8441 |
f |
[EDO]A:209 |
-x-1/2,y-1/2,-z-1 |
3_444 |
1 |
1 |
186 |
10.1 |
0.2 |
0.902 |
0 |
0 |
0 |
0.000 |
29 |
|
[ZN]A:217 |
1 |
1 |
98 |
f |
[EDO]A:207 |
x,y,z |
1_555 |
1 |
1 |
182 |
10.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.004 |
30 |
|
[EDO]A:208 |
2 |
1 |
182 |
f |
[EDO]A:206 |
x,y,z |
1_555 |
2 |
1 |
183 |
8.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:212 |
2 |
1 |
188 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.4 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:207 |
1 |
1 |
182 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
1 |
1 |
8441 |
1.8 |
0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:213 |
1 |
1 |
183 |
f |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
8441 |
1.1 |
0.0 |
0.718 |
0 |
0 |
0 |
0.000 |
|