| ## |
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 |
77 |
21 |
15967 |
◊ |
A |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
76 |
20 |
15990 |
773.4 |
4.2 |
0.756 |
12 |
19 |
0 |
0.000 |
| 2 |
2 |
|
B |
48 |
13 |
15967 |
x |
B |
-y-1/2,x+1/2,z-1/4 |
3_454 |
56 |
15 |
15967 |
480.1 |
0.1 |
0.496 |
3 |
4 |
0 |
0.000 |
3 |
|
A |
47 |
11 |
15990 |
x |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
50 |
14 |
15990 |
464.3 |
-0.3 |
0.499 |
3 |
5 |
0 |
0.000 |
| Average: |
472.2 |
-0.1 |
0.497 |
3 |
5 |
0 |
0.000 |
| 3 |
4 |
|
B |
44 |
17 |
15967 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
15990 |
412.9 |
3.6 |
0.789 |
6 |
4 |
0 |
0.000 |
| 4 |
5 |
|
B |
42 |
13 |
15967 |
◊ |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
36 |
8 |
15990 |
321.1 |
-1.0 |
0.413 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[EDO]A:406 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
21 |
10 |
15990 |
133.6 |
3.2 |
0.353 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[EDO]B:408 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
15967 |
129.6 |
3.2 |
0.508 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15967 |
111.6 |
-15.3 |
0.824 |
5 |
0 |
0 |
0.087 |
| 8 |
9 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15990 |
111.6 |
-15.5 |
0.810 |
5 |
0 |
0 |
0.024 |
| 9 |
10 |
|
[SO4]A:403 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15990 |
110.5 |
-13.9 |
0.826 |
4 |
0 |
0 |
0.021 |
| 10 |
11 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
15967 |
107.2 |
-13.2 |
0.765 |
4 |
0 |
0 |
0.075 |
| 11 |
12 |
|
[EDO]A:410 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
15990 |
105.9 |
3.1 |
0.505 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]B:406 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
15967 |
105.7 |
3.2 |
0.297 |
3 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]A:409 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
15990 |
105.3 |
3.6 |
0.601 |
4 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]B:407 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
15967 |
103.4 |
3.4 |
0.575 |
4 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15990 |
101.0 |
-14.9 |
0.757 |
6 |
0 |
0 |
0.024 |
| 16 |
17 |
|
[EDO]B:409 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
15967 |
99.5 |
3.0 |
0.512 |
2 |
0 |
0 |
0.000 |
| 17 |
18 |
|
B |
11 |
5 |
15967 |
◊ |
A |
-x-1,-y,z-1/2 |
2_454 |
8 |
3 |
15990 |
98.7 |
1.5 |
0.771 |
4 |
2 |
0 |
0.000 |
| 18 |
19 |
|
[SO4]A:402 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
15990 |
97.8 |
-13.5 |
0.809 |
3 |
0 |
0 |
0.020 |
| 19 |
20 |
|
[EDO]B:403 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
15967 |
95.6 |
2.9 |
0.432 |
4 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[EDO]A:407 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
15990 |
95.4 |
3.3 |
0.444 |
3 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]B:411 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
15967 |
92.0 |
3.4 |
0.334 |
3 |
0 |
0 |
0.000 |
| 22 |
23 |
|
B |
16 |
6 |
15967 |
◊ |
[EDO]A:408 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
4 |
1 |
185 |
89.9 |
1.6 |
0.268 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[SO4]A:405 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
15990 |
84.1 |
-10.1 |
0.916 |
4 |
0 |
0 |
0.016 |
| 24 |
25 |
|
[EDO]A:412 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15990 |
81.9 |
3.1 |
0.309 |
2 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[EDO]B:410 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
15967 |
80.9 |
4.3 |
0.348 |
2 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[EDO]B:405 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
15967 |
79.7 |
1.8 |
0.216 |
2 |
0 |
0 |
0.000 |
| 27 |
28 |
|
B |
12 |
4 |
15967 |
◊ |
[EDO]A:411 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
4 |
1 |
187 |
75.6 |
1.3 |
0.537 |
2 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]B:404 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
15967 |
71.3 |
1.7 |
0.227 |
2 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[EDO]B:404 |
3 |
1 |
184 |
◊ |
A |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
10 |
4 |
15990 |
63.8 |
1.9 |
0.269 |
2 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[EDO]B:411 |
3 |
1 |
185 |
◊ |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
6 |
2 |
15990 |
50.4 |
0.7 |
0.585 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[EDO]A:408 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15990 |
49.7 |
2.3 |
0.333 |
1 |
0 |
0 |
0.000 |
| 32 |
33 |
|
B |
7 |
2 |
15967 |
f |
[EDO]B:403 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
4 |
1 |
184 |
46.3 |
0.9 |
0.673 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[EDO]A:411 |
3 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
15990 |
43.9 |
1.4 |
0.777 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
A |
5 |
1 |
15990 |
f |
[EDO]A:407 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
4 |
1 |
186 |
43.2 |
0.6 |
0.562 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
B |
5 |
2 |
15967 |
◊ |
[SO4]A:405 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
4 |
1 |
186 |
39.0 |
-5.0 |
0.466 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
B |
7 |
3 |
15967 |
◊ |
[SO4]A:404 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
3 |
1 |
185 |
35.2 |
-3.6 |
0.915 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[EDO]B:411 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15990 |
29.8 |
1.3 |
0.948 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[EDO]B:409 |
2 |
1 |
183 |
f |
[EDO]B:407 |
x,y,z |
1_555 |
3 |
1 |
188 |
27.2 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[SO4]A:405 |
3 |
1 |
186 |
f |
[SO4]A:403 |
x,y,z |
1_555 |
4 |
1 |
185 |
24.4 |
-5.4 |
0.995 |
0 |
0 |
0 |
0.007 |
| 40 |
41 |
|
[EDO]A:410 |
1 |
1 |
184 |
f |
[EDO]A:409 |
x,y,z |
1_555 |
3 |
1 |
187 |
20.6 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[EDO]B:404 |
2 |
1 |
184 |
◊ |
[EDO]A:408 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
3 |
1 |
185 |
20.3 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[EDO]B:405 |
1 |
1 |
185 |
f |
A |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
3 |
1 |
15990 |
16.3 |
0.3 |
0.828 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
B |
3 |
1 |
15967 |
◊ |
[SO4]A:403 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
2 |
1 |
185 |
10.7 |
-1.4 |
0.673 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[EDO]B:411 |
3 |
1 |
185 |
f |
[SO4]B:402 |
x,y,z |
1_555 |
3 |
1 |
185 |
9.7 |
-1.0 |
0.996 |
0 |
0 |
0 |
0.005 |
| 45 |
46 |
|
[EDO]A:411 |
2 |
1 |
187 |
f |
[SO4]A:403 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.6 |
-0.9 |
0.894 |
0 |
0 |
0 |
0.001 |
| 46 |
47 |
|
[EDO]A:406 |
2 |
1 |
184 |
f |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
2 |
1 |
15990 |
3.9 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[EDO]B:408 |
1 |
1 |
184 |
f |
B |
-y-1/2,x+1/2,z-1/4 |
3_454 |
1 |
1 |
15967 |
0.9 |
0.1 |
0.853 |
0 |
0 |
0 |
0.000 |
| 48 |
49 |
|
[SO4]B:402 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15990 |
0.3 |
-0.0 |
0.826 |
0 |
0 |
0 |
0.000 |
|