| ## |
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 |
194 |
55 |
11531 |
◊ |
H |
x,y,z |
1_555 |
183 |
52 |
11375 |
1687.3 |
-26.0 |
0.020 |
12 |
1 |
0 |
1.000 |
2 |
|
B |
200 |
54 |
11743 |
◊ |
A |
x,y,z |
1_555 |
181 |
53 |
11183 |
1685.3 |
-23.8 |
0.038 |
10 |
2 |
0 |
1.000 |
| Average: |
1686.3 |
-24.9 |
0.029 |
11 |
2 |
0 |
1.000 |
| 2 |
3 |
|
L |
83 |
29 |
11531 |
◊ |
B |
x,y,z |
1_555 |
86 |
26 |
11743 |
808.1 |
-5.1 |
0.312 |
9 |
1 |
0 |
0.392 |
| 3 |
4 |
|
A |
43 |
12 |
11183 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
35 |
10 |
11743 |
352.1 |
-2.8 |
0.389 |
6 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
39 |
12 |
11743 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
41 |
12 |
11531 |
338.5 |
1.2 |
0.711 |
7 |
0 |
0 |
0.000 |
| 5 |
6 |
|
H |
17 |
5 |
11375 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
22 |
6 |
11183 |
179.1 |
0.3 |
0.738 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
B |
13 |
4 |
11743 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
7 |
11375 |
168.0 |
-0.1 |
0.634 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
17 |
7 |
11183 |
◊ |
L |
-x+1/2,-y-1,z-1/2 |
2_544 |
16 |
7 |
11531 |
139.2 |
1.1 |
0.772 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
17 |
9 |
11743 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
6 |
11375 |
138.8 |
-0.3 |
0.607 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
L |
15 |
4 |
11531 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
14 |
4 |
11183 |
127.2 |
-0.8 |
0.497 |
1 |
1 |
0 |
0.000 |
| 10 |
11 |
|
A |
13 |
5 |
11183 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
6 |
11375 |
117.9 |
0.8 |
0.706 |
2 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]B:301 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
11743 |
110.9 |
3.7 |
0.454 |
4 |
0 |
0 |
0.000 |
| 12 |
13 |
|
L |
13 |
3 |
11531 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
11 |
3 |
11743 |
101.2 |
0.6 |
0.671 |
2 |
2 |
0 |
0.000 |
| 13 |
14 |
|
[ACT]A:302 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11183 |
90.3 |
-0.5 |
0.664 |
1 |
0 |
0 |
0.100 |
| 14 |
15 |
|
[EDO]A:301 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
11183 |
84.1 |
2.2 |
0.431 |
1 |
0 |
0 |
0.000 |
16 |
|
[EDO]H:303 |
4 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
11375 |
82.0 |
2.2 |
0.425 |
2 |
0 |
0 |
0.000 |
| Average: |
83.0 |
2.2 |
0.428 |
2 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]H:302 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
13 |
4 |
11183 |
74.3 |
2.1 |
0.311 |
4 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]H:303 |
4 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
15 |
6 |
11531 |
70.9 |
1.0 |
0.692 |
1 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:301 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11743 |
70.6 |
1.0 |
0.689 |
1 |
0 |
0 |
0.000 |
| Average: |
70.7 |
1.0 |
0.690 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
H |
11 |
3 |
11375 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
8 |
4 |
11743 |
70.7 |
-0.8 |
0.378 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[SO4]L:301 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
11531 |
63.1 |
-8.3 |
0.799 |
2 |
0 |
0 |
0.391 |
| 19 |
22 |
|
[EDO]H:304 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
10 |
3 |
11375 |
62.3 |
1.0 |
0.672 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[SO4]L:301 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11743 |
62.3 |
-7.3 |
0.929 |
2 |
0 |
0 |
0.347 |
| 21 |
24 |
|
[SO4]H:301 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
11375 |
59.5 |
-7.0 |
0.881 |
1 |
0 |
0 |
0.158 |
| 22 |
25 |
|
[EDO]H:302 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
7 |
2 |
11375 |
57.7 |
2.4 |
0.322 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[ACT]A:302 |
4 |
1 |
184 |
◊ |
L |
-x+1/2,-y-1,z-1/2 |
2_544 |
8 |
2 |
11531 |
55.9 |
-0.7 |
0.511 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
A |
7 |
2 |
11183 |
◊ |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
2 |
11531 |
50.0 |
-1.0 |
0.329 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
B |
4 |
2 |
11743 |
x |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
2 |
1 |
11743 |
43.7 |
0.7 |
0.690 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
L |
6 |
3 |
11531 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
3 |
11375 |
41.8 |
-0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[EDO]H:302 |
3 |
1 |
184 |
f |
[SO4]H:301 |
x,y,z |
1_555 |
4 |
1 |
185 |
36.5 |
-3.7 |
0.999 |
1 |
0 |
0 |
0.088 |
| 28 |
31 |
|
[SO4]H:301 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
11183 |
32.1 |
-3.4 |
0.896 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
A |
3 |
2 |
11183 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
11375 |
20.7 |
0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
B |
3 |
1 |
11743 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
3 |
3 |
11375 |
19.0 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
A |
1 |
1 |
11183 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
11375 |
3.9 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
|