| ## |
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 |
|
B |
292 |
65 |
11045 |
◊ |
A |
x,y,z |
1_555 |
297 |
84 |
10172 |
2787.1 |
-39.5 |
0.102 |
62 |
2 |
0 |
0.882 |
2 |
|
B |
118 |
31 |
11045 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
119 |
32 |
11045 |
1085.1 |
-13.6 |
0.141 |
16 |
0 |
0 |
1.000 |
3 |
|
B |
56 |
19 |
11045 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
44 |
12 |
10172 |
495.7 |
-7.3 |
0.165 |
4 |
0 |
0 |
0.099 |
4 |
|
A |
35 |
12 |
10172 |
x |
A |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
28 |
10 |
10172 |
271.6 |
-3.1 |
0.486 |
2 |
1 |
0 |
0.000 |
5 |
|
A |
11 |
3 |
10172 |
◊ |
B |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
17 |
4 |
11045 |
132.4 |
-0.6 |
0.404 |
1 |
1 |
0 |
0.000 |
6 |
|
[EDO]B:11 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
11045 |
103.8 |
2.9 |
0.421 |
0 |
0 |
0 |
0.000 |
7 |
|
[EDO]A:209 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
10172 |
101.6 |
2.4 |
0.461 |
2 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:205 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
10172 |
101.3 |
3.0 |
0.501 |
1 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:204 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
10172 |
101.1 |
2.7 |
0.475 |
2 |
0 |
0 |
0.000 |
10 |
|
[EDO]B:7 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
11045 |
96.3 |
2.7 |
0.493 |
3 |
0 |
0 |
0.000 |
11 |
|
[EDO]B:14 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
11045 |
96.1 |
2.9 |
0.530 |
3 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:208 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
10172 |
95.2 |
2.7 |
0.514 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:200 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
10172 |
89.0 |
3.3 |
0.335 |
3 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:206 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
10172 |
83.6 |
2.0 |
0.361 |
1 |
0 |
0 |
0.000 |
15 |
|
[SO4]A:197 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
10172 |
83.4 |
-10.9 |
0.773 |
3 |
0 |
0 |
0.160 |
16 |
|
[EDO]A:202 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
10172 |
81.3 |
2.3 |
0.505 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]B:17 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
11045 |
80.2 |
2.9 |
0.319 |
5 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:207 |
4 |
1 |
184 |
f |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
15 |
5 |
11045 |
78.9 |
1.9 |
0.281 |
4 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:203 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10172 |
77.0 |
0.9 |
0.208 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:210 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10172 |
76.6 |
1.8 |
0.280 |
2 |
0 |
0 |
0.000 |
21 |
|
[SO4]A:198 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
10172 |
72.2 |
-10.2 |
0.859 |
4 |
0 |
0 |
0.157 |
22 |
|
A |
7 |
3 |
10172 |
◊ |
[EDO]A:201 |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
4 |
1 |
185 |
62.4 |
1.5 |
0.217 |
0 |
0 |
0 |
0.000 |
23 |
|
[SO4]A:198 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
10 |
4 |
10172 |
61.6 |
-7.3 |
0.941 |
1 |
0 |
0 |
0.000 |
24 |
|
[EDO]B:17 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
10172 |
58.7 |
1.6 |
0.917 |
5 |
0 |
0 |
0.008 |
25 |
|
[EDO]B:10 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
10172 |
56.8 |
0.7 |
0.254 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:207 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10172 |
52.0 |
1.3 |
0.265 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]B:10 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
11045 |
50.9 |
1.7 |
0.943 |
3 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:201 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10172 |
50.6 |
1.5 |
0.945 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:202 |
4 |
1 |
182 |
◊ |
A |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
8 |
3 |
10172 |
50.0 |
0.9 |
0.730 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:208 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11045 |
43.8 |
1.8 |
0.914 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:209 |
4 |
1 |
183 |
f |
[EDO]A:203 |
x,y,z |
1_555 |
4 |
1 |
184 |
39.1 |
1.0 |
1.000 |
4 |
0 |
0 |
0.011 |
32 |
|
[SO4]A:197 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11045 |
35.7 |
-4.0 |
0.861 |
3 |
0 |
0 |
0.070 |
33 |
|
[EDO]A:201 |
4 |
1 |
185 |
f |
[EDO]A:200 |
x,y,z |
1_555 |
2 |
1 |
185 |
35.6 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
34 |
|
[EDO]B:14 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
10172 |
35.1 |
1.0 |
0.857 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]B:10 |
3 |
1 |
184 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
4 |
2 |
11045 |
33.3 |
1.2 |
0.301 |
0 |
0 |
0 |
0.000 |
36 |
|
[EDO]A:210 |
2 |
1 |
182 |
f |
[EDO]A:200 |
x,y,z |
1_555 |
2 |
1 |
185 |
30.0 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:203 |
4 |
1 |
184 |
f |
[SO4]A:197 |
x,y,z |
1_555 |
4 |
1 |
185 |
27.9 |
-1.8 |
0.999 |
1 |
0 |
0 |
0.029 |
38 |
|
[EDO]A:206 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
11045 |
25.6 |
1.0 |
0.861 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]B:10 |
2 |
1 |
184 |
f |
[SO4]A:197 |
x,y,z |
1_555 |
4 |
1 |
185 |
24.8 |
-2.1 |
0.999 |
1 |
0 |
0 |
0.033 |
40 |
|
[EDO]B:10 |
3 |
1 |
184 |
f |
[EDO]A:203 |
x,y,z |
1_555 |
4 |
1 |
184 |
20.2 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:202 |
2 |
1 |
182 |
f |
[SO4]A:198 |
x,y,z |
1_555 |
1 |
1 |
184 |
17.4 |
-1.9 |
0.894 |
1 |
0 |
0 |
0.031 |
42 |
|
[EDO]A:202 |
3 |
1 |
182 |
◊ |
B |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
1 |
1 |
11045 |
8.8 |
0.3 |
0.921 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:210 |
2 |
1 |
182 |
f |
[EDO]A:204 |
x,y,z |
1_555 |
1 |
1 |
183 |
7.5 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:209 |
2 |
1 |
183 |
f |
[SO4]A:197 |
x,y,z |
1_555 |
2 |
1 |
185 |
7.1 |
-0.6 |
0.980 |
0 |
0 |
0 |
0.008 |
45 |
|
[EDO]B:7 |
1 |
1 |
185 |
f |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
11045 |
2.0 |
0.0 |
0.856 |
0 |
0 |
0 |
0.000 |
46 |
|
[SO4]A:198 |
1 |
1 |
184 |
◊ |
[EDO]A:201 |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
1 |
1 |
185 |
1.1 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[EDO]A:203 |
1 |
1 |
184 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
11045 |
0.7 |
0.0 |
0.860 |
0 |
0 |
0 |
0.000 |
|