| ## |
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 |
191 |
55 |
11510 |
◊ |
H |
x,y,z |
1_555 |
169 |
46 |
11472 |
1680.9 |
-19.7 |
0.138 |
17 |
4 |
0 |
0.517 |
2 |
|
B |
181 |
54 |
11660 |
◊ |
A |
x,y,z |
1_555 |
177 |
48 |
11596 |
1632.2 |
-22.8 |
0.072 |
14 |
1 |
0 |
0.517 |
| Average: |
1656.5 |
-21.3 |
0.105 |
16 |
3 |
0 |
0.517 |
| 2 |
3 |
|
H |
70 |
26 |
11472 |
◊ |
A |
x,y,z |
1_555 |
66 |
26 |
11596 |
661.5 |
-0.3 |
0.746 |
11 |
0 |
0 |
0.071 |
| 3 |
4 |
|
A |
41 |
13 |
11596 |
◊ |
H |
x-1,y,z |
1_455 |
40 |
13 |
11472 |
398.6 |
-0.7 |
0.722 |
8 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
42 |
13 |
11660 |
x |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
40 |
14 |
11660 |
335.7 |
0.6 |
0.733 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
42 |
14 |
11660 |
◊ |
L |
-x-3/2,-y,z-1/2 |
2_354 |
30 |
12 |
11510 |
329.3 |
-3.5 |
0.310 |
4 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
32 |
13 |
11660 |
◊ |
L |
-x-1/2,-y,z-1/2 |
2_454 |
31 |
10 |
11510 |
291.1 |
-4.0 |
0.251 |
3 |
0 |
0 |
0.039 |
| 7 |
8 |
|
[PG4]H:301 |
13 |
1 |
392 |
f |
H |
x,y,z |
1_555 |
36 |
14 |
11472 |
246.2 |
5.0 |
0.428 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
H |
31 |
9 |
11472 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
32 |
12 |
11596 |
227.4 |
0.8 |
0.788 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
A |
17 |
6 |
11596 |
◊ |
L |
x-1,y,z |
1_455 |
14 |
3 |
11510 |
150.6 |
-1.6 |
0.423 |
2 |
0 |
0 |
0.000 |
11 |
|
B |
15 |
3 |
11660 |
◊ |
H |
x-1,y,z |
1_455 |
17 |
7 |
11472 |
144.5 |
-1.4 |
0.434 |
1 |
0 |
0 |
0.000 |
| Average: |
147.5 |
-1.5 |
0.429 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
H |
13 |
5 |
11472 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
14 |
5 |
11660 |
104.6 |
0.6 |
0.720 |
1 |
2 |
0 |
0.000 |
| 11 |
13 |
|
[SO4]A:302 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11596 |
86.1 |
-13.0 |
0.821 |
3 |
0 |
0 |
0.195 |
| 12 |
14 |
|
[SO4]H:304 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
11472 |
80.4 |
-12.1 |
0.781 |
4 |
0 |
0 |
0.256 |
| 13 |
15 |
|
A |
10 |
4 |
11596 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
12 |
3 |
11510 |
79.2 |
-0.3 |
0.580 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[SO4]H:302 |
5 |
1 |
184 |
f |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
10 |
5 |
11596 |
75.9 |
-10.6 |
0.779 |
3 |
0 |
0 |
0.163 |
| 15 |
17 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
11660 |
67.0 |
-8.1 |
0.838 |
2 |
0 |
0 |
0.121 |
| 16 |
18 |
|
[SO4]H:302 |
5 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
8 |
5 |
11472 |
63.6 |
-8.2 |
0.779 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[SO4]H:303 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
11472 |
62.2 |
-8.2 |
0.857 |
3 |
0 |
0 |
0.176 |
| 18 |
20 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
11596 |
62.0 |
-8.4 |
0.829 |
3 |
0 |
0 |
0.132 |
| 19 |
21 |
|
[SO4]H:303 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
11596 |
61.0 |
-5.3 |
0.973 |
3 |
0 |
0 |
0.090 |
| 20 |
22 |
|
[SO4]L:301 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
6 |
4 |
11510 |
55.4 |
-5.9 |
0.939 |
2 |
0 |
0 |
0.126 |
| 21 |
23 |
|
B |
8 |
3 |
11660 |
◊ |
[SO4]B:301 |
x-1/2,-y+1/2,-z-1 |
4_454 |
4 |
1 |
185 |
50.1 |
-5.5 |
0.832 |
1 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[SO4]A:301 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
11472 |
48.3 |
-5.5 |
0.855 |
2 |
0 |
0 |
0.087 |
| 23 |
25 |
|
B |
6 |
4 |
11660 |
◊ |
[SO4]L:301 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
185 |
41.2 |
-4.7 |
0.725 |
1 |
0 |
0 |
0.037 |
| 24 |
26 |
|
A |
2 |
1 |
11596 |
x |
A |
x-1,y,z |
1_455 |
2 |
1 |
11596 |
12.4 |
0.5 |
0.781 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
B |
1 |
1 |
11660 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
11660 |
7.7 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
L |
1 |
1 |
11510 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
11596 |
3.9 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
A |
1 |
1 |
11596 |
◊ |
L |
-x-3/2,-y,z-1/2 |
2_354 |
1 |
1 |
11510 |
2.0 |
-0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
|