## |
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 |
|
C |
61 |
19 |
8629 |
◊ |
B |
x,y,z |
1_555 |
64 |
24 |
8602 |
576.6 |
-10.8 |
0.229 |
5 |
0 |
0 |
0.265 |
2 |
|
C |
64 |
22 |
8629 |
◊ |
A |
x,y,z |
1_555 |
59 |
19 |
8728 |
564.7 |
-11.4 |
0.169 |
3 |
0 |
0 |
0.265 |
3 |
|
B |
57 |
18 |
8602 |
◊ |
A |
x,y,z |
1_555 |
62 |
22 |
8728 |
557.1 |
-10.3 |
0.206 |
3 |
1 |
0 |
0.265 |
Average: |
566.1 |
-10.9 |
0.201 |
4 |
0 |
0 |
0.265 |
2 |
4 |
|
A |
61 |
21 |
8728 |
◊ |
C |
x-1,y,z |
1_455 |
62 |
20 |
8629 |
563.1 |
-6.5 |
0.494 |
3 |
0 |
0 |
0.000 |
5 |
|
C |
50 |
18 |
8629 |
◊ |
B |
x,y,z-1 |
1_554 |
61 |
18 |
8602 |
481.9 |
-2.7 |
0.741 |
4 |
0 |
0 |
0.000 |
Average: |
522.5 |
-4.6 |
0.618 |
4 |
0 |
0 |
0.000 |
3 |
6 |
|
A |
45 |
11 |
8728 |
◊ |
B |
x-1,y,z-1 |
1_454 |
47 |
12 |
8602 |
430.1 |
-5.5 |
0.459 |
3 |
1 |
0 |
0.000 |
4 |
7 |
|
C |
31 |
9 |
8629 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
33 |
8 |
8602 |
306.8 |
-4.9 |
0.322 |
2 |
1 |
0 |
0.010 |
5 |
8 |
|
B |
20 |
6 |
8602 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
21 |
9 |
8602 |
193.2 |
-3.0 |
0.374 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
8728 |
107.9 |
-14.8 |
0.866 |
3 |
0 |
0 |
0.114 |
7 |
10 |
|
[SO4]C:303 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
8629 |
106.9 |
-15.0 |
0.879 |
3 |
0 |
0 |
0.115 |
8 |
11 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
8602 |
106.7 |
-14.9 |
0.865 |
3 |
0 |
0 |
0.115 |
9 |
12 |
|
[EDO]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8602 |
92.7 |
2.5 |
0.528 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
A |
10 |
3 |
8728 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
10 |
5 |
8602 |
80.4 |
0.1 |
0.686 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[EDO]C:302 |
4 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
9 |
4 |
8602 |
71.3 |
2.1 |
0.428 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]A:302 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8728 |
70.9 |
0.6 |
0.608 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]C:302 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
8629 |
70.4 |
1.2 |
0.733 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[SO4]C:304 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
8629 |
69.5 |
-10.5 |
0.713 |
3 |
0 |
0 |
0.083 |
15 |
18 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8602 |
67.0 |
1.2 |
0.661 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[SO4]A:305 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
8728 |
56.9 |
-7.6 |
0.767 |
0 |
0 |
0 |
0.054 |
17 |
20 |
|
C |
12 |
5 |
8629 |
x |
C |
-x,y-1/2,-z |
2_545 |
8 |
2 |
8629 |
55.4 |
0.2 |
0.798 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[SO4]A:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8602 |
54.4 |
-7.2 |
0.774 |
1 |
0 |
0 |
0.054 |
19 |
22 |
|
[SO4]C:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
8728 |
53.1 |
-6.2 |
0.941 |
2 |
0 |
0 |
0.050 |
20 |
23 |
|
[EDO]B:303 |
3 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
8602 |
52.8 |
1.8 |
0.325 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[SO4]A:305 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
8629 |
51.8 |
-7.0 |
0.806 |
0 |
0 |
0 |
0.049 |
22 |
25 |
|
[SO4]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8728 |
44.2 |
-4.9 |
0.941 |
2 |
0 |
0 |
0.041 |
23 |
26 |
|
[SO4]A:304 |
5 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
9 |
3 |
8602 |
43.6 |
-5.3 |
0.877 |
1 |
0 |
0 |
0.000 |
24 |
27 |
|
[EDO]B:303 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
8728 |
40.2 |
0.5 |
0.765 |
1 |
0 |
0 |
0.000 |
25 |
28 |
|
[SO4]A:304 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
8602 |
39.7 |
-4.8 |
0.936 |
2 |
0 |
0 |
0.041 |
26 |
29 |
|
[SO4]A:304 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
8629 |
34.3 |
-3.6 |
0.967 |
2 |
0 |
0 |
0.032 |
27 |
30 |
|
A |
9 |
4 |
8728 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
5 |
3 |
8728 |
33.1 |
-0.2 |
0.669 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[SO4]C:304 |
3 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
8602 |
25.6 |
-3.4 |
0.719 |
1 |
0 |
0 |
0.006 |
29 |
32 |
|
[EDO]C:302 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
8602 |
15.1 |
0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[SO4]C:304 |
1 |
1 |
185 |
◊ |
[SO4]A:304 |
x,y,z |
1_555 |
1 |
1 |
185 |
7.1 |
-1.7 |
0.800 |
0 |
0 |
0 |
0.012 |
|