| ## |
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 |
62 |
16 |
6812 |
◊ |
C |
y,x,-z |
7_555 |
61 |
16 |
6812 |
591.5 |
-3.4 |
0.513 |
4 |
0 |
0 |
0.040 |
2 |
|
B |
60 |
17 |
6825 |
◊ |
A |
y,x,-z |
7_555 |
63 |
17 |
6791 |
588.5 |
-3.3 |
0.567 |
5 |
0 |
0 |
0.040 |
| Average: |
590.0 |
-3.4 |
0.540 |
5 |
0 |
0 |
0.040 |
| 2 |
3 |
|
[HEB]C:201 |
41 |
1 |
823 |
cf |
C |
x,y,z |
1_555 |
76 |
24 |
6812 |
518.1 |
-19.5 |
0.162 |
0 |
0 |
0 |
0.296 |
4 |
|
[HEB]B:201 |
42 |
1 |
811 |
cf |
B |
x,y,z |
1_555 |
68 |
22 |
6825 |
515.6 |
-18.0 |
0.308 |
0 |
0 |
0 |
0.296 |
5 |
|
[HEB]A:201 |
41 |
1 |
816 |
cf |
A |
x,y,z |
1_555 |
70 |
22 |
6791 |
511.3 |
-17.5 |
0.332 |
0 |
0 |
0 |
0.296 |
| Average: |
515.0 |
-18.3 |
0.268 |
0 |
0 |
0 |
0.296 |
| 3 |
6 |
|
B |
28 |
11 |
6825 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
6791 |
366.0 |
-5.8 |
0.082 |
3 |
6 |
0 |
0.099 |
7 |
|
C |
28 |
10 |
6812 |
◊ |
B |
x,y,z |
1_555 |
47 |
13 |
6825 |
363.0 |
-4.2 |
0.177 |
3 |
5 |
0 |
0.099 |
8 |
|
C |
46 |
14 |
6812 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
6791 |
355.5 |
-4.1 |
0.178 |
3 |
5 |
0 |
0.099 |
| Average: |
361.5 |
-4.7 |
0.146 |
3 |
5 |
0 |
0.099 |
| 4 |
9 |
|
B |
36 |
10 |
6825 |
◊ |
A |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
33 |
13 |
6791 |
318.3 |
-1.5 |
0.592 |
5 |
0 |
0 |
0.000 |
| 5 |
10 |
|
C |
25 |
8 |
6812 |
◊ |
A |
y,x-1,-z |
7_545 |
32 |
12 |
6791 |
243.1 |
-2.1 |
0.437 |
1 |
0 |
0 |
0.000 |
| 6 |
11 |
|
A |
24 |
7 |
6791 |
◊ |
A |
y,x,-z |
7_555 |
24 |
7 |
6791 |
241.1 |
-1.0 |
0.595 |
2 |
0 |
0 |
0.012 |
12 |
|
C |
25 |
6 |
6812 |
◊ |
B |
y,x,-z |
7_555 |
26 |
8 |
6825 |
212.6 |
0.3 |
0.719 |
4 |
2 |
0 |
0.012 |
| Average: |
226.9 |
-0.3 |
0.657 |
3 |
1 |
0 |
0.012 |
| 7 |
13 |
|
C |
15 |
5 |
6812 |
◊ |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
13 |
6 |
6825 |
118.3 |
0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
C |
14 |
4 |
6812 |
◊ |
A |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
15 |
5 |
6791 |
110.2 |
0.3 |
0.701 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[SO4]B:203 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
6825 |
96.7 |
-13.8 |
0.752 |
2 |
0 |
0 |
0.071 |
| 10 |
16 |
|
[SO4]C:202 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
6812 |
94.9 |
-13.3 |
0.734 |
2 |
0 |
0 |
0.216 |
| 11 |
17 |
|
[HEB]C:201 |
7 |
1 |
823 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
6791 |
85.0 |
-4.8 |
0.194 |
1 |
0 |
0 |
0.073 |
18 |
|
[HEB]A:201 |
6 |
1 |
816 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6825 |
84.7 |
-4.9 |
0.140 |
1 |
0 |
0 |
0.073 |
19 |
|
[HEB]B:201 |
7 |
1 |
811 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
6812 |
80.4 |
-4.2 |
0.248 |
1 |
0 |
0 |
0.073 |
| Average: |
83.4 |
-4.6 |
0.194 |
1 |
0 |
0 |
0.073 |
| 12 |
20 |
|
A |
11 |
4 |
6791 |
◊ |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
8 |
3 |
6825 |
82.2 |
-0.5 |
0.477 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[SO4]C:203 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6812 |
75.4 |
-9.8 |
0.913 |
1 |
0 |
0 |
0.156 |
| 14 |
22 |
|
[SO4]B:204 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6825 |
74.1 |
-9.2 |
0.921 |
2 |
0 |
0 |
0.049 |
| 15 |
23 |
|
[SO4]A:203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6791 |
68.4 |
-8.6 |
0.922 |
2 |
0 |
0 |
0.046 |
| 16 |
24 |
|
[SO4]C:204 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
6812 |
58.3 |
-7.0 |
0.894 |
3 |
0 |
0 |
0.126 |
| 17 |
25 |
|
[SO4]A:202 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
6812 |
52.0 |
-6.7 |
0.805 |
1 |
0 |
0 |
0.109 |
| 18 |
26 |
|
[SO4]A:202 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
6791 |
51.2 |
-6.5 |
0.798 |
1 |
0 |
0 |
0.034 |
| 19 |
27 |
|
[SO4]A:202 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
6825 |
50.8 |
-6.5 |
0.801 |
1 |
0 |
0 |
0.034 |
| 20 |
28 |
|
[HEB]B:201 |
3 |
1 |
811 |
◊ |
A |
y,x,-z |
7_555 |
6 |
2 |
6791 |
45.7 |
-0.1 |
0.764 |
0 |
0 |
0 |
0.003 |
29 |
|
[HEB]C:201 |
3 |
1 |
823 |
◊ |
C |
y,x,-z |
7_555 |
5 |
2 |
6812 |
44.7 |
-0.2 |
0.750 |
0 |
0 |
0 |
0.003 |
30 |
|
[HEB]A:201 |
3 |
1 |
816 |
◊ |
B |
y,x,-z |
7_555 |
5 |
1 |
6825 |
44.3 |
-0.3 |
0.738 |
0 |
0 |
0 |
0.003 |
| Average: |
44.9 |
-0.2 |
0.751 |
0 |
0 |
0 |
0.003 |
| 21 |
31 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
6825 |
43.3 |
-6.2 |
0.598 |
1 |
0 |
0 |
0.032 |
| 22 |
32 |
|
[SO4]B:202 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
4 |
6812 |
42.9 |
-6.2 |
0.577 |
1 |
0 |
0 |
0.032 |
| 23 |
33 |
|
[SO4]B:202 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
6791 |
42.3 |
-6.2 |
0.594 |
1 |
0 |
0 |
0.032 |
| 24 |
34 |
|
[SO4]C:202 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
6791 |
37.6 |
-4.6 |
0.414 |
0 |
0 |
0 |
0.022 |
| 25 |
35 |
|
[SO4]B:203 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
6812 |
34.1 |
-4.1 |
0.457 |
0 |
0 |
0 |
0.020 |
| 26 |
36 |
|
B |
1 |
1 |
6825 |
x |
B |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
4 |
2 |
6825 |
20.8 |
0.5 |
0.830 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[SO4]C:204 |
1 |
1 |
185 |
◊ |
[SO4]C:204 |
y,x,-z |
7_555 |
2 |
1 |
185 |
20.7 |
-5.0 |
0.876 |
0 |
0 |
0 |
0.038 |
| 28 |
38 |
|
A |
1 |
1 |
6791 |
◊ |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
2 |
6825 |
17.7 |
0.5 |
0.862 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[SO4]C:204 |
1 |
1 |
185 |
◊ |
C |
y,x,-z |
7_555 |
2 |
1 |
6812 |
7.8 |
-1.0 |
0.649 |
0 |
0 |
0 |
0.015 |
| 30 |
40 |
|
A |
1 |
1 |
6791 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
1 |
6791 |
5.7 |
-0.0 |
0.487 |
0 |
0 |
0 |
0.000 |
|