## |
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 |
56 |
17 |
7438 |
x |
A |
x,y,z |
1_555 |
40 |
12 |
7466 |
418.6 |
1.7 |
0.590 |
3 |
3 |
0 |
0.000 |
2 |
|
C |
39 |
9 |
7400 |
x |
C |
x-y,x,z+1/6 |
6_555 |
47 |
15 |
7400 |
399.3 |
1.7 |
0.616 |
5 |
4 |
0 |
0.000 |
Average: |
408.9 |
1.7 |
0.603 |
4 |
4 |
0 |
0.000 |
2 |
3 |
|
B |
38 |
9 |
7438 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
48 |
16 |
7466 |
395.5 |
3.1 |
0.704 |
5 |
4 |
0 |
0.000 |
3 |
4 |
|
B |
27 |
7 |
7438 |
◊ |
A |
-y,x-y-1,z-2/3 |
2_544 |
38 |
11 |
7466 |
334.7 |
-2.7 |
0.202 |
3 |
5 |
0 |
0.000 |
4 |
5 |
|
C |
29 |
8 |
7400 |
x |
C |
x-y,x,z-5/6 |
6_554 |
37 |
10 |
7400 |
322.8 |
-2.9 |
0.206 |
2 |
6 |
0 |
0.000 |
6 |
|
A |
30 |
8 |
7466 |
x |
B |
x,y,z-1 |
1_554 |
33 |
9 |
7438 |
322.2 |
-2.6 |
0.206 |
2 |
6 |
0 |
0.000 |
Average: |
322.5 |
-2.8 |
0.206 |
2 |
6 |
0 |
0.000 |
5 |
7 |
|
A |
33 |
11 |
7466 |
x |
C |
x,y,z-1 |
1_554 |
37 |
13 |
7400 |
266.6 |
-0.3 |
0.474 |
2 |
2 |
0 |
0.000 |
8 |
|
B |
30 |
10 |
7438 |
x |
B |
-x,-y-1,z-1/2 |
4_544 |
36 |
14 |
7438 |
256.8 |
-0.6 |
0.440 |
1 |
2 |
0 |
0.000 |
Average: |
261.7 |
-0.5 |
0.457 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
C |
29 |
10 |
7400 |
◊ |
A |
x,y,z |
1_555 |
38 |
13 |
7466 |
265.1 |
-0.8 |
0.417 |
1 |
2 |
0 |
0.000 |
7 |
10 |
|
A |
14 |
4 |
7466 |
◊ |
C |
x-y,x,z-5/6 |
6_554 |
18 |
5 |
7400 |
132.9 |
0.7 |
0.604 |
1 |
3 |
0 |
0.000 |
11 |
|
A |
13 |
4 |
7466 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
8 |
3 |
7438 |
79.7 |
0.4 |
0.511 |
0 |
2 |
0 |
0.000 |
12 |
|
C |
12 |
3 |
7400 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7438 |
68.2 |
-0.1 |
0.506 |
1 |
2 |
0 |
0.000 |
Average: |
93.6 |
0.3 |
0.540 |
1 |
2 |
0 |
0.000 |
8 |
13 |
|
[SO4]A:1172 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
7466 |
88.3 |
-11.7 |
0.807 |
4 |
0 |
0 |
0.031 |
9 |
14 |
|
[SO4]C:1171 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
7400 |
82.8 |
-10.9 |
0.906 |
4 |
0 |
0 |
0.032 |
10 |
15 |
|
[SO4]B:1170 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7438 |
82.8 |
-10.9 |
0.889 |
4 |
0 |
0 |
0.030 |
11 |
16 |
|
[SO4]A:1170 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7466 |
82.4 |
-11.0 |
0.894 |
4 |
0 |
0 |
0.029 |
12 |
17 |
|
[SO4]A:1171 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7466 |
80.7 |
-10.2 |
0.917 |
4 |
0 |
0 |
0.029 |
18 |
|
[SO4]B:1171 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
7438 |
80.4 |
-10.5 |
0.915 |
4 |
0 |
0 |
0.029 |
Average: |
80.5 |
-10.4 |
0.916 |
4 |
0 |
0 |
0.029 |
13 |
19 |
|
[SO4]C:1170 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
7400 |
80.7 |
-10.7 |
0.896 |
4 |
0 |
0 |
0.032 |
14 |
20 |
|
[SO4]B:1172 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7438 |
80.1 |
-11.5 |
0.811 |
3 |
0 |
0 |
0.031 |
15 |
21 |
|
[SO4]C:1172 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
7400 |
64.2 |
-7.9 |
0.875 |
3 |
0 |
0 |
0.024 |
16 |
22 |
|
B |
4 |
2 |
7438 |
x |
B |
x,y,z-1 |
1_554 |
4 |
2 |
7438 |
24.5 |
0.6 |
0.726 |
1 |
0 |
0 |
0.000 |
23 |
|
C |
3 |
1 |
7400 |
x |
C |
x,y,z-1 |
1_554 |
3 |
2 |
7400 |
23.8 |
0.5 |
0.746 |
1 |
0 |
0 |
0.000 |
24 |
|
A |
3 |
1 |
7466 |
x |
A |
x,y,z-1 |
1_554 |
4 |
2 |
7466 |
19.4 |
0.5 |
0.735 |
0 |
0 |
0 |
0.000 |
Average: |
22.6 |
0.5 |
0.736 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[SO4]C:1171 |
3 |
1 |
185 |
f |
[SO4]C:1170 |
x,y,z |
1_555 |
1 |
1 |
185 |
13.8 |
-3.2 |
0.891 |
0 |
0 |
0 |
0.008 |
18 |
26 |
|
[SO4]A:1172 |
1 |
1 |
184 |
f |
[SO4]A:1170 |
x,y,z |
1_555 |
3 |
1 |
185 |
13.0 |
-3.1 |
0.891 |
0 |
0 |
0 |
0.007 |
19 |
27 |
|
[SO4]B:1171 |
3 |
1 |
184 |
f |
[SO4]B:1170 |
x,y,z |
1_555 |
1 |
1 |
184 |
12.6 |
-3.0 |
0.891 |
0 |
0 |
0 |
0.007 |
20 |
28 |
|
[SO4]A:1171 |
3 |
1 |
185 |
f |
[SO4]A:1170 |
x,y,z |
1_555 |
1 |
1 |
185 |
10.4 |
-2.4 |
0.891 |
0 |
0 |
0 |
0.006 |
21 |
29 |
|
[SO4]C:1172 |
1 |
1 |
185 |
f |
[SO4]C:1170 |
x,y,z |
1_555 |
3 |
1 |
185 |
7.1 |
-1.6 |
0.891 |
0 |
0 |
0 |
0.004 |
22 |
30 |
|
[SO4]B:1172 |
1 |
1 |
185 |
f |
[SO4]B:1170 |
x,y,z |
1_555 |
2 |
1 |
184 |
5.0 |
-1.2 |
0.876 |
0 |
0 |
0 |
0.003 |
|