## |
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 |
50 |
14 |
15252 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
52 |
15 |
15135 |
458.5 |
-7.1 |
0.268 |
2 |
0 |
0 |
0.189 |
2 |
2 |
|
B |
44 |
14 |
15252 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
15135 |
397.0 |
-2.9 |
0.607 |
3 |
0 |
0 |
0.000 |
3 |
3 |
|
[35M]B:1355 |
25 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
59 |
19 |
15252 |
361.8 |
1.2 |
0.422 |
4 |
0 |
0 |
0.015 |
4 |
4 |
|
[35M]A:1355 |
26 |
1 |
553 |
f |
A |
x,y,z |
1_555 |
59 |
20 |
15135 |
342.7 |
2.2 |
0.424 |
5 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
27 |
8 |
15252 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
27 |
10 |
15135 |
217.8 |
-2.2 |
0.511 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
[EDO]A:1359 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
15135 |
122.5 |
3.7 |
0.725 |
5 |
0 |
0 |
0.000 |
7 |
7 |
|
[EDO]B:1360 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
15252 |
119.4 |
3.6 |
0.525 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
[EDO]B:1358 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
15252 |
118.1 |
3.4 |
0.672 |
3 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
11 |
3 |
15135 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
2 |
15252 |
113.6 |
-0.5 |
0.441 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[DMS]B:1361 |
4 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
15252 |
112.1 |
4.2 |
0.744 |
1 |
0 |
0 |
0.000 |
11 |
11 |
|
[DMS]A:1360 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
15135 |
111.2 |
3.0 |
0.619 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]B:1359 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
15252 |
100.9 |
2.0 |
0.384 |
1 |
0 |
0 |
0.000 |
13 |
13 |
|
B |
7 |
3 |
15252 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
17 |
6 |
15135 |
94.3 |
0.7 |
0.712 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[SO4]A:1354 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15135 |
82.7 |
-13.2 |
0.723 |
3 |
0 |
0 |
0.343 |
15 |
15 |
|
[SO4]B:1354 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
15252 |
79.2 |
-12.3 |
0.730 |
3 |
0 |
0 |
0.323 |
16 |
16 |
|
[EDO]A:1358 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15135 |
65.2 |
1.2 |
0.605 |
1 |
0 |
0 |
0.000 |
17 |
17 |
|
A |
8 |
2 |
15135 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
15252 |
48.6 |
-1.3 |
0.296 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
[DMS]A:1360 |
3 |
1 |
209 |
f |
[35M]A:1355 |
x,y,z |
1_555 |
10 |
1 |
553 |
46.1 |
1.9 |
0.224 |
1 |
0 |
0 |
0.000 |
19 |
19 |
|
[MN]A:1356 |
1 |
1 |
123 |
cf |
A |
x,y,z |
1_555 |
11 |
6 |
15135 |
43.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.188 |
20 |
|
[MN]B:1356 |
1 |
1 |
123 |
cf |
B |
x,y,z |
1_555 |
12 |
6 |
15252 |
43.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.188 |
Average: |
43.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.188 |
20 |
21 |
|
[DMS]B:1361 |
3 |
1 |
211 |
f |
[35M]B:1355 |
x,y,z |
1_555 |
12 |
1 |
560 |
43.1 |
0.5 |
0.201 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[MN]B:1356 |
1 |
1 |
123 |
f |
[35M]B:1355 |
x,y,z |
1_555 |
7 |
1 |
560 |
40.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.098 |
23 |
|
[MN]A:1356 |
1 |
1 |
123 |
f |
[35M]A:1355 |
x,y,z |
1_555 |
7 |
1 |
553 |
39.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
40.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.098 |
22 |
24 |
|
B |
4 |
1 |
15252 |
◊ |
[SO4]A:1354 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
186 |
38.4 |
-4.7 |
0.895 |
0 |
0 |
0 |
0.112 |
23 |
25 |
|
[SO4]B:1354 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
15135 |
29.8 |
-4.3 |
0.390 |
0 |
0 |
0 |
0.102 |
24 |
26 |
|
[DMS]B:1361 |
3 |
1 |
211 |
f |
[MN]B:1356 |
x,y,z |
1_555 |
1 |
1 |
123 |
8.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
25 |
27 |
|
[DMS]A:1360 |
1 |
1 |
209 |
f |
[MN]A:1356 |
x,y,z |
1_555 |
1 |
1 |
123 |
6.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
26 |
28 |
|
[EDO]B:1360 |
1 |
1 |
185 |
f |
[SO4]B:1354 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.1 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.008 |
|