## |
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 |
171 |
43 |
11390 |
◊ |
A |
x,y,z |
1_555 |
173 |
46 |
11464 |
1601.1 |
-22.8 |
0.060 |
25 |
4 |
0 |
0.419 |
2 |
|
B |
42 |
15 |
11390 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
54 |
18 |
11390 |
422.4 |
-0.4 |
0.716 |
4 |
1 |
0 |
0.000 |
3 |
|
A |
50 |
17 |
11464 |
◊ |
B |
x-1,y,z |
1_455 |
53 |
17 |
11390 |
415.3 |
0.2 |
0.755 |
5 |
4 |
0 |
0.000 |
4 |
|
A |
18 |
8 |
11464 |
◊ |
B |
x-1,y+1,z |
1_465 |
20 |
7 |
11390 |
170.1 |
-0.6 |
0.459 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
18 |
7 |
11390 |
◊ |
A |
x,y-1,z |
1_545 |
19 |
8 |
11464 |
161.8 |
0.3 |
0.688 |
3 |
2 |
0 |
0.000 |
6 |
|
A |
12 |
6 |
11464 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
12 |
4 |
11464 |
125.5 |
0.4 |
0.731 |
1 |
0 |
0 |
0.000 |
7 |
|
[EDO]B:306 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11390 |
112.3 |
4.0 |
0.728 |
4 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:302 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
11464 |
111.8 |
2.9 |
0.473 |
3 |
0 |
0 |
0.000 |
9 |
|
[EDO]B:308 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11390 |
111.3 |
2.8 |
0.494 |
2 |
0 |
0 |
0.000 |
10 |
|
[SO4]A:306 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
11464 |
109.3 |
-14.4 |
0.816 |
2 |
0 |
0 |
0.185 |
11 |
|
[SO4]B:309 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11390 |
103.2 |
-15.4 |
0.740 |
3 |
0 |
0 |
0.203 |
12 |
|
[SO4]A:305 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
11464 |
101.7 |
-15.9 |
0.747 |
4 |
0 |
0 |
0.215 |
13 |
|
[EDO]B:304 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
11390 |
95.3 |
2.2 |
0.257 |
4 |
0 |
0 |
0.000 |
14 |
|
[EDO]B:307 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
11390 |
88.2 |
2.6 |
0.298 |
2 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:305 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
11390 |
87.9 |
2.1 |
0.273 |
1 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:301 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11464 |
87.5 |
2.1 |
0.455 |
3 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:304 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11464 |
85.7 |
2.1 |
0.289 |
2 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
11390 |
82.1 |
2.5 |
0.493 |
3 |
0 |
0 |
0.000 |
19 |
|
[EDO]B:301 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
11390 |
79.8 |
1.5 |
0.242 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:303 |
4 |
1 |
186 |
f |
B |
x-1,y,z |
1_455 |
15 |
5 |
11390 |
74.9 |
2.1 |
0.287 |
4 |
0 |
0 |
0.000 |
21 |
|
B |
9 |
4 |
11390 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
2 |
11464 |
73.4 |
0.3 |
0.584 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:305 |
4 |
1 |
184 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
14 |
5 |
11390 |
72.2 |
2.0 |
0.285 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
9 |
3 |
11464 |
f |
[EDO]B:307 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
68.0 |
2.1 |
0.896 |
1 |
0 |
0 |
0.000 |
24 |
|
[EDO]B:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11464 |
67.1 |
1.2 |
0.191 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:301 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
11390 |
61.4 |
1.7 |
0.281 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:301 |
4 |
1 |
183 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
11 |
5 |
11390 |
61.3 |
1.5 |
0.809 |
2 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:304 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11390 |
50.6 |
0.7 |
0.514 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:303 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11464 |
50.2 |
1.0 |
0.788 |
1 |
0 |
0 |
0.000 |
29 |
|
B |
6 |
3 |
11390 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
7 |
3 |
11464 |
48.9 |
0.9 |
0.820 |
1 |
2 |
0 |
0.000 |
30 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
11390 |
42.9 |
0.9 |
0.659 |
1 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:302 |
3 |
1 |
184 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
11464 |
39.0 |
0.3 |
0.475 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]B:302 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11390 |
37.5 |
0.7 |
0.825 |
1 |
0 |
0 |
0.000 |
33 |
|
A |
7 |
4 |
11464 |
x |
A |
x-1,y,z |
1_455 |
4 |
2 |
11464 |
37.3 |
0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]B:309 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11464 |
37.0 |
-4.6 |
0.579 |
0 |
0 |
0 |
0.056 |
35 |
|
[SO4]A:305 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11390 |
32.6 |
-4.0 |
0.558 |
0 |
0 |
0 |
0.048 |
36 |
|
[EDO]B:303 |
2 |
1 |
185 |
f |
[EDO]B:301 |
x,y,z |
1_555 |
2 |
1 |
183 |
24.6 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
37 |
|
A |
1 |
1 |
11464 |
x |
A |
x,y-1,z |
1_545 |
3 |
1 |
11464 |
14.5 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]B:303 |
2 |
1 |
185 |
f |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
11464 |
11.3 |
0.4 |
0.921 |
0 |
0 |
0 |
0.000 |
39 |
|
[SO4]B:309 |
1 |
1 |
187 |
◊ |
[SO4]A:305 |
x,y,z |
1_555 |
1 |
1 |
187 |
10.4 |
-2.5 |
0.800 |
0 |
0 |
0 |
0.030 |
40 |
|
B |
2 |
2 |
11390 |
x |
B |
x,y-1,z |
1_545 |
2 |
2 |
11390 |
9.6 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
1 |
1 |
11464 |
f |
[EDO]B:302 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
5.5 |
0.2 |
0.906 |
0 |
0 |
0 |
0.000 |
|