## |
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 |
|
A |
46 |
13 |
9924 |
◊ |
B |
x-1,y,z |
1_455 |
49 |
15 |
9969 |
421.4 |
2.3 |
0.793 |
7 |
0 |
0 |
0.000 |
2 |
|
B |
48 |
12 |
9969 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
9924 |
390.7 |
2.2 |
0.776 |
7 |
0 |
0 |
0.000 |
Average: |
406.0 |
2.3 |
0.784 |
7 |
0 |
0 |
0.000 |
2 |
3 |
|
A |
38 |
12 |
9924 |
◊ |
B |
x,y-1,z |
1_545 |
44 |
12 |
9969 |
401.8 |
-2.4 |
0.288 |
4 |
0 |
0 |
0.000 |
4 |
|
A |
43 |
11 |
9924 |
◊ |
B |
x-1,y-1,z |
1_445 |
38 |
13 |
9969 |
355.8 |
-2.1 |
0.332 |
4 |
0 |
0 |
0.000 |
Average: |
378.8 |
-2.3 |
0.310 |
4 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
43 |
15 |
9924 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
38 |
15 |
9969 |
384.1 |
-3.2 |
0.232 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
41 |
12 |
9969 |
x |
B |
x-1,y,z |
1_455 |
37 |
13 |
9969 |
331.3 |
-0.1 |
0.558 |
3 |
0 |
0 |
0.000 |
7 |
|
A |
38 |
10 |
9924 |
x |
A |
x-1,y,z |
1_455 |
35 |
13 |
9924 |
311.5 |
-0.6 |
0.502 |
3 |
0 |
0 |
0.000 |
Average: |
321.4 |
-0.4 |
0.530 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
9969 |
101.8 |
-14.9 |
0.574 |
4 |
0 |
0 |
0.023 |
6 |
9 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
9924 |
100.2 |
-14.7 |
0.583 |
5 |
0 |
0 |
0.020 |
7 |
10 |
|
A |
10 |
3 |
9924 |
◊ |
B |
x,y-1,z-1 |
1_544 |
10 |
4 |
9969 |
94.6 |
1.3 |
0.799 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9924 |
81.7 |
-12.0 |
0.668 |
3 |
0 |
0 |
0.016 |
9 |
12 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
9969 |
80.5 |
-11.9 |
0.662 |
2 |
0 |
0 |
0.017 |
10 |
13 |
|
[CL]B:307 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
9969 |
72.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.015 |
14 |
|
[CL]A:308 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
9924 |
72.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
72.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.015 |
11 |
15 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9924 |
69.9 |
-9.2 |
0.967 |
3 |
0 |
0 |
0.013 |
12 |
16 |
|
[SO4]B:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
9969 |
69.5 |
-9.1 |
0.967 |
3 |
0 |
0 |
0.014 |
13 |
17 |
|
B |
6 |
3 |
9969 |
f |
[SO4]B:304 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
68.5 |
-9.4 |
0.818 |
2 |
0 |
0 |
0.014 |
14 |
18 |
|
[SO4]A:304 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9924 |
67.8 |
-9.4 |
0.819 |
2 |
0 |
0 |
0.012 |
15 |
19 |
|
B |
10 |
4 |
9969 |
f |
[EDO]B:305 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
67.7 |
2.2 |
0.270 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]A:307 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9924 |
66.2 |
1.8 |
0.757 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[SO4]A:305 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
9924 |
64.0 |
-7.1 |
0.933 |
2 |
0 |
0 |
0.010 |
18 |
22 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
9924 |
62.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.014 |
23 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
9969 |
62.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
62.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.014 |
19 |
24 |
|
A |
6 |
3 |
9924 |
◊ |
[SO4]A:301 |
x-1,y,z |
1_455 |
5 |
1 |
185 |
61.4 |
-8.5 |
0.660 |
2 |
0 |
0 |
0.000 |
20 |
25 |
|
B |
6 |
3 |
9969 |
◊ |
[SO4]B:301 |
x-1,y,z |
1_455 |
5 |
1 |
184 |
60.7 |
-8.3 |
0.663 |
2 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]A:307 |
3 |
1 |
185 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
4 |
9924 |
55.1 |
1.0 |
0.193 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[SO4]B:304 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
9969 |
53.7 |
-6.7 |
0.708 |
2 |
0 |
0 |
0.000 |
23 |
28 |
|
[SO4]A:304 |
4 |
1 |
184 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
9924 |
52.7 |
-6.7 |
0.694 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[EDO]B:305 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
9969 |
52.2 |
0.7 |
0.511 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[SO4]A:302 |
4 |
1 |
186 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
9924 |
31.6 |
-4.2 |
0.367 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[SO4]B:303 |
4 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
9969 |
31.0 |
-4.1 |
0.378 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[CL]A:306 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9969 |
25.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
2 |
1 |
9924 |
◊ |
[CL]B:306 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
25.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
25.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[SO4]B:303 |
1 |
1 |
185 |
f |
[EDO]B:305 |
x-1,y,z |
1_455 |
3 |
1 |
184 |
17.5 |
-1.9 |
0.894 |
0 |
0 |
0 |
0.003 |
29 |
35 |
|
[EDO]A:307 |
3 |
1 |
185 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
1 |
1 |
186 |
15.5 |
-1.7 |
0.894 |
0 |
0 |
0 |
0.002 |
30 |
36 |
|
[SO4]A:304 |
2 |
1 |
184 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
1 |
1 |
186 |
12.5 |
-3.0 |
0.876 |
0 |
0 |
0 |
0.004 |
31 |
37 |
|
[SO4]B:303 |
1 |
1 |
185 |
f |
[SO4]B:304 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
8.9 |
-2.1 |
0.800 |
0 |
0 |
0 |
0.003 |
32 |
38 |
|
A |
1 |
1 |
9924 |
◊ |
[SO4]B:304 |
x-1,y-1,z |
1_445 |
1 |
1 |
185 |
4.4 |
-0.6 |
0.498 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[SO4]A:304 |
1 |
1 |
184 |
◊ |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
9969 |
3.4 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.000 |
|