| ## |
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 |
|
A |
86 |
29 |
15301 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
93 |
25 |
15078 |
762.5 |
-4.6 |
0.447 |
9 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
55 |
15 |
15078 |
◊ |
A |
-y+1,x-1,z+1/4 |
3_645 |
63 |
18 |
15301 |
519.1 |
-4.5 |
0.305 |
3 |
0 |
0 |
0.041 |
| 3 |
3 |
|
B |
47 |
12 |
15078 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
15301 |
365.2 |
-1.9 |
0.382 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
49 |
16 |
15301 |
x |
A |
-y+1,x,z+1/4 |
3_655 |
37 |
12 |
15301 |
324.1 |
1.0 |
0.789 |
7 |
4 |
0 |
0.000 |
| 5 |
5 |
|
[CFF]B:2435 |
14 |
1 |
344 |
f |
B |
x,y,z |
1_555 |
40 |
14 |
15078 |
229.6 |
-1.0 |
0.310 |
1 |
0 |
0 |
0.023 |
6 |
|
[CFF]A:1435 |
14 |
1 |
343 |
f |
A |
x,y,z |
1_555 |
36 |
15 |
15301 |
206.0 |
-1.3 |
0.284 |
1 |
0 |
0 |
0.023 |
| Average: |
217.8 |
-1.2 |
0.297 |
1 |
0 |
0 |
0.023 |
| 6 |
7 |
|
[CFF]A:1433 |
14 |
1 |
341 |
f |
A |
x,y,z |
1_555 |
31 |
7 |
15301 |
221.8 |
1.0 |
0.398 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[CFF]A:1434 |
14 |
1 |
344 |
f |
A |
x,y,z |
1_555 |
33 |
12 |
15301 |
181.8 |
-0.4 |
0.404 |
1 |
0 |
0 |
0.006 |
| 8 |
9 |
|
[CFF]B:2434 |
14 |
1 |
345 |
f |
B |
x,y,z |
1_555 |
26 |
7 |
15078 |
170.0 |
0.9 |
0.419 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[CFF]B:2433 |
14 |
1 |
344 |
f |
B |
x,y,z |
1_555 |
31 |
10 |
15078 |
165.1 |
-0.7 |
0.346 |
1 |
0 |
0 |
0.008 |
| 10 |
11 |
|
A |
15 |
4 |
15301 |
◊ |
[CFF]B:2433 |
-y+1,x,z+1/4 |
3_655 |
13 |
1 |
344 |
110.2 |
-0.4 |
0.416 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[SO4]A:1008 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
15301 |
95.2 |
-15.4 |
0.643 |
4 |
0 |
0 |
0.122 |
| 12 |
13 |
|
[SO4]B:1010 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
15078 |
89.4 |
-14.1 |
0.669 |
4 |
0 |
0 |
0.112 |
| 13 |
14 |
|
[SO4]B:1012 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
15078 |
75.7 |
-10.2 |
0.864 |
3 |
0 |
0 |
0.082 |
| 14 |
15 |
|
[SO4]A:1011 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15301 |
74.4 |
-10.9 |
0.686 |
5 |
0 |
0 |
0.093 |
| 15 |
16 |
|
[SO4]A:1001 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15301 |
73.9 |
-8.7 |
0.951 |
4 |
0 |
0 |
0.074 |
| 16 |
17 |
|
[CFF]A:1435 |
11 |
1 |
343 |
f |
[CFF]A:1433 |
x,y,z |
1_555 |
4 |
1 |
341 |
62.0 |
1.4 |
0.476 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[SO4]A:1002 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15301 |
61.4 |
-8.7 |
0.644 |
1 |
0 |
0 |
0.065 |
| 18 |
19 |
|
[SO4]B:1003 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15078 |
60.6 |
-8.7 |
0.686 |
1 |
0 |
0 |
0.065 |
| 19 |
20 |
|
[SO4]B:1004 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
15078 |
60.1 |
-6.5 |
0.964 |
2 |
0 |
0 |
0.052 |
| 20 |
21 |
|
[SO4]A:1006 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15301 |
58.4 |
-7.9 |
0.511 |
1 |
0 |
0 |
0.059 |
| 21 |
22 |
|
[SO4]B:1005 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
15078 |
57.9 |
-7.4 |
0.763 |
3 |
0 |
0 |
0.062 |
| 22 |
23 |
|
[SO4]B:1007 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15078 |
57.5 |
-7.7 |
0.564 |
2 |
0 |
0 |
0.061 |
| 23 |
24 |
|
[SO4]A:1001 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
15078 |
47.6 |
-5.9 |
0.717 |
1 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[SO4]A:1009 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15301 |
40.6 |
-4.8 |
0.736 |
1 |
0 |
0 |
0.037 |
| 25 |
26 |
|
[SO4]B:1004 |
4 |
1 |
186 |
◊ |
A |
-y+1,x-1,z+1/4 |
3_645 |
5 |
2 |
15301 |
37.6 |
-3.9 |
0.933 |
0 |
0 |
0 |
0.028 |
| 26 |
27 |
|
[SO4]B:1012 |
4 |
1 |
186 |
◊ |
A |
-y+1,x-1,z+1/4 |
3_645 |
6 |
3 |
15301 |
31.6 |
-4.2 |
0.660 |
0 |
0 |
0 |
0.030 |
| 27 |
28 |
|
[CFF]B:2435 |
1 |
1 |
344 |
f |
[CFF]B:2433 |
x,y,z |
1_555 |
3 |
1 |
344 |
24.8 |
1.3 |
0.672 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[CFF]A:1435 |
1 |
1 |
343 |
f |
[CFF]A:1434 |
x,y,z |
1_555 |
2 |
1 |
344 |
22.5 |
0.4 |
0.525 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
B |
2 |
1 |
15078 |
◊ |
[CFF]A:1434 |
-y+1,x-1,z+1/4 |
3_645 |
2 |
1 |
344 |
20.9 |
0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
B |
4 |
3 |
15078 |
◊ |
[SO4]A:1011 |
-y+1,x-1,z+1/4 |
3_645 |
2 |
1 |
186 |
15.2 |
-1.9 |
0.790 |
0 |
0 |
0 |
0.013 |
|