| ## |
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 |
200 |
56 |
11438 |
◊ |
A |
x,y,z |
1_555 |
205 |
57 |
11043 |
1851.2 |
-25.4 |
0.039 |
17 |
2 |
0 |
0.678 |
2 |
|
H |
199 |
55 |
11426 |
◊ |
L |
x,y,z |
1_555 |
200 |
56 |
10946 |
1828.6 |
-27.9 |
0.024 |
15 |
0 |
0 |
0.678 |
| Average: |
1839.9 |
-26.6 |
0.031 |
16 |
1 |
0 |
0.678 |
| 2 |
3 |
|
B |
63 |
20 |
11438 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
59 |
20 |
11426 |
546.4 |
1.7 |
0.899 |
11 |
0 |
0 |
0.000 |
| 3 |
4 |
|
L |
62 |
19 |
10946 |
◊ |
A |
x,y,z |
1_555 |
51 |
18 |
11043 |
521.8 |
-0.7 |
0.600 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
H |
37 |
10 |
11426 |
◊ |
L |
x-1/2,-y+1/2,-z+1 |
4_456 |
43 |
16 |
10946 |
362.3 |
-1.3 |
0.613 |
5 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
31 |
9 |
11438 |
◊ |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
33 |
12 |
10946 |
308.0 |
-0.7 |
0.624 |
5 |
0 |
0 |
0.008 |
| 6 |
7 |
|
B |
23 |
8 |
11438 |
◊ |
L |
x-1,y,z |
1_455 |
26 |
10 |
10946 |
201.9 |
-1.5 |
0.468 |
5 |
0 |
0 |
0.000 |
| 7 |
8 |
|
H |
19 |
7 |
11426 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
9 |
11438 |
172.5 |
-1.6 |
0.507 |
0 |
0 |
0 |
0.041 |
| 8 |
9 |
|
[SO4]L:902 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
14 |
9 |
10946 |
101.8 |
-13.0 |
0.895 |
1 |
0 |
0 |
0.217 |
| 9 |
10 |
|
[GOL]B:303 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11438 |
100.3 |
-0.8 |
0.498 |
5 |
0 |
0 |
0.077 |
| 10 |
11 |
|
[GOL]B:302 |
6 |
1 |
219 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
5 |
11426 |
82.5 |
-0.3 |
0.625 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[SO4]H:301 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
11426 |
76.0 |
-10.5 |
0.821 |
4 |
0 |
0 |
0.316 |
| 12 |
13 |
|
[GOL]B:303 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
11043 |
74.5 |
-0.2 |
0.554 |
3 |
0 |
0 |
0.031 |
| 13 |
14 |
|
[SO4]H:301 |
5 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
5 |
11438 |
66.2 |
-9.3 |
0.728 |
3 |
0 |
0 |
0.275 |
| 14 |
15 |
|
[GOL]B:302 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11438 |
64.3 |
0.5 |
0.679 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[ACT]L:901 |
4 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
10 |
3 |
10946 |
64.2 |
0.0 |
0.591 |
2 |
0 |
0 |
0.014 |
| 16 |
17 |
|
A |
6 |
1 |
11043 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
4 |
11426 |
61.4 |
0.4 |
0.641 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[SO4]B:301 |
4 |
1 |
187 |
◊ |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
5 |
10946 |
60.5 |
-7.1 |
0.918 |
1 |
0 |
0 |
0.019 |
| 18 |
19 |
|
[SO4]B:301 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11438 |
59.2 |
-8.3 |
0.727 |
1 |
0 |
0 |
0.227 |
| 19 |
20 |
|
H |
9 |
2 |
11426 |
x |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
11426 |
55.7 |
-0.3 |
0.555 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[SO4]L:902 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11043 |
50.9 |
-5.8 |
0.881 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
H |
4 |
1 |
11426 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11043 |
44.9 |
-0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[ACT]L:901 |
3 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
11426 |
40.4 |
-0.6 |
0.594 |
0 |
0 |
0 |
0.010 |
| 23 |
24 |
|
A |
3 |
2 |
11043 |
◊ |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
10946 |
23.4 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[GOL]B:302 |
2 |
1 |
219 |
f |
[SO4]B:301 |
x,y,z |
1_555 |
3 |
1 |
187 |
21.2 |
-2.2 |
0.863 |
1 |
0 |
0 |
0.067 |
| 25 |
26 |
|
L |
2 |
1 |
10946 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
11438 |
19.9 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[ACT]L:901 |
1 |
1 |
183 |
◊ |
L |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
10946 |
8.6 |
-0.3 |
0.350 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
L |
1 |
1 |
10946 |
x |
L |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
10946 |
7.0 |
-0.0 |
0.463 |
0 |
0 |
0 |
0.000 |
|