| ## |
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 |
105 |
28 |
8332 |
◊ |
A |
x,y,z |
1_555 |
110 |
27 |
8464 |
1079.1 |
-18.2 |
0.103 |
12 |
4 |
0 |
0.111 |
| 2 |
2 |
|
B |
60 |
17 |
8332 |
x |
B |
z-1,-x+1,-y+2 |
6_467 |
68 |
21 |
8332 |
588.6 |
-9.5 |
0.203 |
3 |
0 |
0 |
0.594 |
3 |
|
A |
64 |
20 |
8464 |
x |
A |
z-1,-x+1,-y+2 |
6_467 |
56 |
18 |
8464 |
578.5 |
-10.2 |
0.202 |
2 |
0 |
0 |
0.594 |
| Average: |
583.6 |
-9.9 |
0.202 |
3 |
0 |
0 |
0.594 |
| 3 |
4 |
|
B |
47 |
16 |
8332 |
◊ |
A |
-z+3/2,-x+3/2,y+1/2 |
19_665 |
45 |
14 |
8464 |
417.3 |
-3.6 |
0.550 |
8 |
2 |
0 |
0.037 |
| 4 |
5 |
|
B |
37 |
11 |
8332 |
◊ |
A |
z-3/2,x+1/2,y+1/2 |
17_355 |
46 |
16 |
8464 |
382.0 |
-5.3 |
0.342 |
1 |
0 |
0 |
0.028 |
| 5 |
6 |
|
[CW4]B:203 |
15 |
1 |
435 |
f |
B |
x,y,z |
1_555 |
41 |
17 |
8332 |
246.3 |
-0.1 |
0.436 |
1 |
0 |
0 |
0.003 |
| 6 |
7 |
|
A |
25 |
6 |
8464 |
◊ |
B |
z-1,-x+1,-y+2 |
6_467 |
26 |
6 |
8332 |
234.5 |
-5.3 |
0.176 |
0 |
1 |
0 |
0.023 |
| 7 |
8 |
|
[POP]A:204 |
9 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
8464 |
153.6 |
1.4 |
0.777 |
5 |
0 |
0 |
0.044 |
| 8 |
9 |
|
A |
19 |
6 |
8464 |
◊ |
B |
-z+3/2,x+1/2,-y+5/2 |
20_657 |
20 |
8 |
8332 |
144.6 |
1.3 |
0.885 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[TRS]A:202 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
8464 |
138.6 |
1.4 |
0.651 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[DMS]A:201 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
8464 |
134.4 |
3.5 |
0.586 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[K]B:202 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
8332 |
121.3 |
-84.3 |
0.000 |
0 |
0 |
0 |
0.490 |
| 12 |
13 |
|
[CW4]B:203 |
10 |
1 |
435 |
◊ |
B |
z-1,-x+1,-y+2 |
6_467 |
12 |
4 |
8332 |
107.1 |
1.4 |
0.436 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[DMS]B:201 |
4 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
8332 |
98.9 |
2.8 |
0.615 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[SO4]B:206 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8332 |
94.0 |
-11.1 |
0.942 |
5 |
0 |
0 |
0.077 |
| 15 |
16 |
|
[SO4]B:205 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
8332 |
91.2 |
-12.6 |
0.937 |
5 |
0 |
0 |
0.086 |
| 16 |
17 |
|
[SO4]B:204 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8332 |
88.4 |
-11.6 |
0.871 |
4 |
0 |
0 |
0.078 |
| 17 |
18 |
|
[SO4]A:203 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8464 |
86.4 |
-11.3 |
0.894 |
6 |
0 |
0 |
0.746 |
| 18 |
19 |
|
A |
12 |
4 |
8464 |
◊ |
[TRS]A:202 |
z-1,-x+1,-y+2 |
6_467 |
5 |
1 |
255 |
68.8 |
2.3 |
0.939 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[SO4]A:203 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
8332 |
64.9 |
-9.5 |
0.757 |
1 |
0 |
0 |
0.046 |
| 20 |
21 |
|
[SO4]B:204 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
8464 |
63.5 |
-9.0 |
0.847 |
2 |
0 |
0 |
0.045 |
| 21 |
22 |
|
B |
6 |
2 |
8332 |
◊ |
A |
x-1/2,-y+3/2,-z+5/2 |
16_467 |
3 |
1 |
8464 |
39.5 |
0.6 |
0.822 |
2 |
0 |
0 |
0.001 |
| 22 |
23 |
|
[K]B:202 |
1 |
1 |
216 |
f |
[DMS]B:201 |
x,y,z |
1_555 |
3 |
1 |
211 |
31.8 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.080 |
| 23 |
24 |
|
[CW4]B:203 |
2 |
1 |
435 |
f |
[SO4]B:206 |
x,y,z |
1_555 |
3 |
1 |
186 |
29.0 |
-3.7 |
0.545 |
0 |
0 |
0 |
0.021 |
| 24 |
25 |
|
[SO4]B:206 |
3 |
1 |
186 |
f |
[DMS]B:201 |
x,y,z |
1_555 |
2 |
1 |
211 |
28.2 |
-2.9 |
0.863 |
0 |
0 |
0 |
0.017 |
| 25 |
26 |
|
[SO4]B:205 |
2 |
1 |
187 |
f |
[DMS]B:201 |
x,y,z |
1_555 |
3 |
1 |
211 |
22.8 |
-2.8 |
0.442 |
0 |
0 |
0 |
0.016 |
| 26 |
27 |
|
[K]B:202 |
1 |
1 |
216 |
f |
[SO4]B:205 |
x,y,z |
1_555 |
4 |
1 |
187 |
21.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.072 |
| 27 |
28 |
|
[POP]A:204 |
4 |
1 |
265 |
f |
[DMS]A:201 |
x,y,z |
1_555 |
3 |
1 |
209 |
17.5 |
0.4 |
0.340 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[SO4]B:206 |
4 |
1 |
186 |
f |
[SO4]B:205 |
x,y,z |
1_555 |
3 |
1 |
187 |
15.6 |
-3.2 |
0.995 |
0 |
0 |
0 |
0.019 |
| 29 |
30 |
|
B |
1 |
1 |
8332 |
◊ |
A |
z-1,-x+1,-y+2 |
6_467 |
1 |
1 |
8464 |
4.4 |
0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
|