| ## |
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 |
|
L |
226 |
62 |
11634 |
◊ |
H |
x,y,z |
1_555 |
207 |
61 |
11829 |
2025.8 |
-28.2 |
0.098 |
25 |
3 |
1 |
0.723 |
2 |
|
B |
220 |
60 |
11623 |
◊ |
A |
x,y,z |
1_555 |
200 |
58 |
11294 |
1919.6 |
-26.7 |
0.104 |
17 |
4 |
1 |
0.723 |
| Average: |
1972.7 |
-27.4 |
0.101 |
21 |
4 |
1 |
0.723 |
| 2 |
3 |
|
H |
42 |
11 |
11829 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
11294 |
396.4 |
1.8 |
0.911 |
11 |
0 |
0 |
0.052 |
| 3 |
4 |
|
L |
40 |
13 |
11634 |
◊ |
L |
-x+2,y,-z+2 |
2_757 |
40 |
13 |
11634 |
375.2 |
-3.0 |
0.467 |
4 |
0 |
0 |
0.099 |
5 |
|
B |
38 |
12 |
11623 |
◊ |
B |
-x+2,y,-z+3 |
2_758 |
38 |
12 |
11623 |
373.9 |
-2.8 |
0.471 |
4 |
0 |
0 |
0.099 |
| Average: |
374.6 |
-2.9 |
0.469 |
4 |
0 |
0 |
0.099 |
| 4 |
6 |
|
B |
32 |
11 |
11623 |
◊ |
L |
x,y-1,z |
1_545 |
30 |
10 |
11634 |
304.3 |
1.9 |
0.867 |
6 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
29 |
9 |
11294 |
◊ |
A |
-x+2,y,-z+3 |
2_758 |
29 |
9 |
11294 |
285.3 |
1.3 |
0.856 |
10 |
0 |
0 |
0.021 |
8 |
|
H |
27 |
9 |
11829 |
◊ |
H |
-x+2,y,-z+2 |
2_757 |
27 |
9 |
11829 |
281.6 |
1.6 |
0.890 |
10 |
0 |
0 |
0.021 |
| Average: |
283.4 |
1.5 |
0.873 |
10 |
0 |
0 |
0.021 |
| 6 |
9 |
|
L |
20 |
4 |
11634 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
11294 |
186.1 |
-0.8 |
0.619 |
1 |
0 |
0 |
0.014 |
10 |
|
B |
20 |
4 |
11623 |
◊ |
H |
x,y,z |
1_555 |
23 |
9 |
11829 |
179.6 |
-0.7 |
0.639 |
1 |
0 |
0 |
0.014 |
| Average: |
182.8 |
-0.8 |
0.629 |
1 |
0 |
0 |
0.014 |
| 7 |
11 |
|
B |
19 |
6 |
11623 |
◊ |
H |
x,y-1,z |
1_545 |
20 |
7 |
11829 |
168.3 |
-0.4 |
0.661 |
4 |
0 |
0 |
0.000 |
12 |
|
A |
20 |
7 |
11294 |
◊ |
L |
x,y-1,z |
1_545 |
20 |
7 |
11634 |
164.5 |
-0.2 |
0.679 |
3 |
0 |
0 |
0.000 |
| Average: |
166.4 |
-0.3 |
0.670 |
4 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[GOL]L:303 |
6 |
1 |
219 |
f |
L |
x,y,z |
1_555 |
20 |
11 |
11634 |
124.6 |
-1.1 |
0.439 |
0 |
0 |
0 |
0.047 |
| 9 |
14 |
|
H |
10 |
3 |
11829 |
◊ |
A |
x,y,z-1 |
1_554 |
13 |
3 |
11294 |
107.3 |
1.2 |
0.859 |
1 |
1 |
0 |
0.000 |
| 10 |
15 |
|
[SO4]B:301 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
11623 |
99.9 |
-15.2 |
0.750 |
3 |
0 |
0 |
0.698 |
| 11 |
16 |
|
[SO4]L:301 |
5 |
1 |
185 |
f |
L |
-x+2,y,-z+2 |
2_757 |
17 |
8 |
11634 |
99.6 |
-14.3 |
0.869 |
3 |
0 |
0 |
0.654 |
| 12 |
17 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
11294 |
84.3 |
-12.1 |
0.853 |
4 |
0 |
0 |
0.232 |
| 13 |
18 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11294 |
78.4 |
-11.3 |
0.814 |
2 |
0 |
0 |
0.204 |
| 14 |
19 |
|
[SO4]A:303 |
5 |
1 |
187 |
cf |
A |
x,y,z |
1_555 |
10 |
5 |
11294 |
75.8 |
-11.5 |
0.710 |
1 |
0 |
0 |
0.199 |
| 15 |
20 |
|
A |
12 |
4 |
11294 |
◊ |
L |
-x+5/2,y-1/2,-z+3 |
4_748 |
6 |
1 |
11634 |
75.3 |
0.8 |
0.803 |
3 |
0 |
0 |
0.000 |
| 16 |
21 |
|
A |
10 |
4 |
11294 |
◊ |
H |
-x+5/2,y-1/2,-z+3 |
4_748 |
7 |
2 |
11829 |
71.0 |
-0.1 |
0.622 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[SO4]A:302 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
11829 |
67.1 |
-9.3 |
0.645 |
1 |
0 |
0 |
0.163 |
| 18 |
23 |
|
[SO4]A:301 |
5 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
11 |
6 |
11829 |
62.1 |
-8.5 |
0.811 |
1 |
0 |
0 |
0.150 |
| 19 |
24 |
|
B |
7 |
3 |
11623 |
◊ |
H |
x,y-1,z+1 |
1_546 |
4 |
2 |
11829 |
43.2 |
0.8 |
0.840 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[SO4]L:301 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
11634 |
37.3 |
-4.3 |
0.811 |
1 |
0 |
0 |
0.200 |
| 21 |
26 |
|
[SO4]B:301 |
4 |
1 |
186 |
◊ |
B |
-x+2,y,-z+3 |
2_758 |
3 |
1 |
11623 |
36.0 |
-4.4 |
0.811 |
1 |
0 |
0 |
0.205 |
| 22 |
27 |
|
[SO4]A:301 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11623 |
11.1 |
-1.2 |
0.850 |
0 |
0 |
0 |
0.013 |
| 23 |
28 |
|
A |
1 |
1 |
11294 |
◊ |
L |
-x+2,y-1,-z+2 |
2_747 |
4 |
3 |
11634 |
10.8 |
-0.2 |
0.370 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
3 |
3 |
11623 |
◊ |
H |
-x+2,y-1,-z+3 |
2_748 |
1 |
1 |
11829 |
9.0 |
-0.2 |
0.378 |
0 |
0 |
0 |
0.000 |
| Average: |
9.9 |
-0.2 |
0.374 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
B |
1 |
1 |
11623 |
◊ |
H |
-x+5/2,y-1/2,-z+3 |
4_748 |
1 |
1 |
11829 |
2.2 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
B |
1 |
1 |
11623 |
◊ |
L |
x,y-1,z+1 |
1_546 |
1 |
1 |
11634 |
1.0 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
|