| ## |
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 |
195 |
51 |
11180 |
◊ |
A |
x,y,z |
1_555 |
211 |
58 |
11870 |
1865.6 |
-25.5 |
0.073 |
18 |
1 |
0 |
0.543 |
2 |
|
H |
196 |
50 |
11238 |
◊ |
L |
x,y,z |
1_555 |
210 |
59 |
11823 |
1824.5 |
-24.2 |
0.089 |
18 |
2 |
0 |
0.543 |
| Average: |
1845.0 |
-24.8 |
0.081 |
18 |
2 |
0 |
0.543 |
| 2 |
3 |
|
L |
54 |
16 |
11823 |
◊ |
A |
-x,y,-z |
2_555 |
51 |
16 |
11870 |
457.5 |
-3.3 |
0.391 |
13 |
0 |
0 |
0.051 |
| 3 |
4 |
|
L |
38 |
13 |
11823 |
◊ |
H |
-x-1/2,y-1/2,-z-1 |
4_444 |
52 |
16 |
11238 |
414.7 |
0.6 |
0.804 |
5 |
1 |
0 |
0.000 |
| 4 |
5 |
|
H |
30 |
10 |
11238 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
11870 |
293.2 |
-0.1 |
0.628 |
7 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
39 |
12 |
11180 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
24 |
6 |
11870 |
267.6 |
1.7 |
0.866 |
4 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
29 |
10 |
11180 |
◊ |
L |
x,y,z |
1_555 |
24 |
9 |
11823 |
261.7 |
-1.7 |
0.479 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
H |
30 |
11 |
11238 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
9 |
11180 |
224.6 |
1.3 |
0.795 |
7 |
0 |
0 |
0.011 |
| 8 |
9 |
|
A |
22 |
8 |
11870 |
◊ |
A |
-x,y,-z |
2_555 |
22 |
8 |
11870 |
221.2 |
-1.1 |
0.478 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
L |
24 |
9 |
11823 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
7 |
11180 |
211.4 |
-1.3 |
0.514 |
6 |
0 |
0 |
0.047 |
11 |
|
H |
20 |
6 |
11238 |
◊ |
A |
x,y,z-1 |
1_554 |
19 |
8 |
11870 |
197.2 |
-0.7 |
0.604 |
7 |
0 |
0 |
0.047 |
| Average: |
204.3 |
-1.0 |
0.559 |
7 |
0 |
0 |
0.047 |
| 10 |
12 |
|
H |
14 |
4 |
11238 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
11180 |
145.3 |
-0.5 |
0.648 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
L |
12 |
5 |
11823 |
◊ |
L |
-x,y,-z |
2_555 |
12 |
5 |
11823 |
126.7 |
-0.1 |
0.583 |
4 |
0 |
0 |
0.000 |
| 12 |
14 |
|
H |
14 |
7 |
11238 |
x |
H |
-x-1/2,y-1/2,-z-1 |
4_444 |
15 |
6 |
11238 |
114.0 |
1.5 |
0.846 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
H |
15 |
6 |
11238 |
◊ |
H |
-x,y,-z-1 |
2_554 |
15 |
6 |
11238 |
103.3 |
-2.1 |
0.390 |
0 |
0 |
0 |
0.010 |
16 |
|
B |
13 |
6 |
11180 |
◊ |
B |
-x,y,-z+1 |
2_556 |
13 |
6 |
11180 |
71.2 |
-1.6 |
0.430 |
0 |
0 |
0 |
0.010 |
| Average: |
87.2 |
-1.9 |
0.410 |
0 |
0 |
0 |
0.010 |
| 14 |
17 |
|
[SO4]B:301 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11180 |
98.3 |
-15.6 |
0.751 |
5 |
0 |
0 |
0.288 |
| 15 |
18 |
|
[SO4]H:301 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
11238 |
89.6 |
-14.6 |
0.797 |
5 |
0 |
0 |
0.210 |
| 16 |
19 |
|
[SO4]H:302 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
11238 |
76.8 |
-11.1 |
0.760 |
2 |
0 |
0 |
0.150 |
| 17 |
20 |
|
[ACT]L:301 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
19 |
10 |
11238 |
76.7 |
-0.5 |
0.716 |
1 |
0 |
0 |
0.012 |
| 18 |
21 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11870 |
71.8 |
-9.6 |
0.804 |
2 |
0 |
0 |
0.169 |
| 19 |
22 |
|
[SO4]L:302 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
11823 |
70.1 |
-9.6 |
0.802 |
2 |
0 |
0 |
0.131 |
| 20 |
23 |
|
L |
8 |
3 |
11823 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
3 |
11870 |
52.2 |
2.0 |
0.900 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[ACT]L:301 |
4 |
1 |
182 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
11823 |
48.6 |
-0.5 |
0.590 |
1 |
0 |
0 |
0.011 |
| 22 |
25 |
|
[SO4]L:302 |
4 |
1 |
184 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
11180 |
44.7 |
-5.3 |
0.581 |
1 |
0 |
0 |
0.034 |
| 23 |
26 |
|
[SO4]H:302 |
3 |
1 |
186 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
3 |
11180 |
40.2 |
-5.3 |
0.703 |
1 |
0 |
0 |
0.035 |
| 24 |
27 |
|
H |
3 |
1 |
11238 |
◊ |
[SO4]A:301 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
39.7 |
-4.6 |
0.665 |
2 |
0 |
0 |
0.033 |
| 25 |
28 |
|
B |
4 |
2 |
11180 |
x |
B |
-x-1/2,y-1/2,-z |
4_445 |
4 |
2 |
11180 |
31.5 |
-0.3 |
0.482 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[SO4]H:301 |
3 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
11823 |
30.6 |
-3.8 |
0.752 |
0 |
0 |
0 |
0.048 |
| 27 |
30 |
|
[ACT]L:301 |
1 |
1 |
182 |
◊ |
H |
-x-1/2,y-1/2,-z-1 |
4_444 |
2 |
1 |
11238 |
24.9 |
-0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[SO4]H:301 |
4 |
1 |
186 |
f |
[ACT]L:301 |
x,y,z |
1_555 |
2 |
1 |
182 |
24.6 |
-2.7 |
0.865 |
0 |
0 |
0 |
0.034 |
| 29 |
32 |
|
H |
1 |
1 |
11238 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
11870 |
6.5 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
L |
1 |
1 |
11823 |
◊ |
[SO4]A:301 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
4.0 |
-0.3 |
0.907 |
0 |
0 |
0 |
0.002 |
| 31 |
34 |
|
A |
1 |
1 |
11870 |
◊ |
L |
x,y-1,z |
1_545 |
1 |
1 |
11823 |
2.5 |
0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
B |
1 |
1 |
11180 |
◊ |
H |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
11238 |
1.7 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
|