## |
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 |
53 |
15 |
15530 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
51 |
16 |
15343 |
480.6 |
-7.4 |
0.178 |
4 |
0 |
0 |
0.196 |
2 |
2 |
|
B |
40 |
12 |
15530 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
15343 |
316.8 |
-3.3 |
0.401 |
1 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
23 |
6 |
15530 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
26 |
9 |
15343 |
207.0 |
-0.9 |
0.608 |
3 |
2 |
0 |
0.000 |
4 |
4 |
|
[FUM]A:1354 |
8 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
33 |
12 |
15343 |
161.2 |
3.4 |
0.235 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
[FUM]B:1354 |
8 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
37 |
13 |
15530 |
160.4 |
3.4 |
0.420 |
4 |
0 |
0 |
0.000 |
6 |
6 |
|
[EDO]B:1356 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
15530 |
120.3 |
3.7 |
0.503 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
13 |
4 |
15343 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
3 |
15530 |
120.0 |
-1.6 |
0.351 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[EDO]A:1355 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15343 |
118.5 |
3.7 |
0.504 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
13 |
4 |
15530 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
15 |
4 |
15343 |
114.9 |
0.2 |
0.664 |
1 |
3 |
0 |
0.000 |
10 |
10 |
|
[EDO]A:1358 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
15343 |
112.8 |
4.1 |
0.743 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]B:1355 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
15530 |
105.3 |
4.0 |
0.692 |
4 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]B:1357 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
15530 |
102.8 |
2.5 |
0.280 |
3 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]A:1356 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15343 |
101.9 |
4.0 |
0.552 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]A:1359 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15530 |
82.8 |
2.2 |
0.302 |
3 |
0 |
0 |
0.000 |
15 |
15 |
|
[SO4]A:1360 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15343 |
81.8 |
-12.9 |
0.702 |
4 |
0 |
0 |
0.313 |
16 |
16 |
|
[EDO]A:1357 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
15343 |
81.2 |
2.5 |
0.297 |
1 |
0 |
0 |
0.000 |
17 |
17 |
|
[SO4]B:1358 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
15530 |
79.9 |
-12.6 |
0.693 |
3 |
0 |
0 |
0.296 |
18 |
18 |
|
A |
8 |
3 |
15343 |
◊ |
A |
-x-1,-y,z |
2_455 |
8 |
3 |
15343 |
66.5 |
0.1 |
0.695 |
0 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]A:1359 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15343 |
57.1 |
1.8 |
0.294 |
0 |
0 |
0 |
0.000 |
20 |
20 |
|
A |
8 |
2 |
15343 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
15530 |
54.8 |
-1.3 |
0.268 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
[NI]B:501 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
15530 |
51.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.374 |
22 |
|
[NI]A:501 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15343 |
50.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.374 |
Average: |
50.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.374 |
22 |
23 |
|
B |
3 |
1 |
15530 |
◊ |
[SO4]A:1360 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
184 |
34.3 |
-3.5 |
0.963 |
1 |
0 |
0 |
0.084 |
23 |
24 |
|
[FUM]B:1354 |
3 |
1 |
254 |
f |
[NI]B:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
32.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.062 |
24 |
25 |
|
[FUM]A:1354 |
3 |
1 |
254 |
f |
[NI]A:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
31.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.061 |
25 |
26 |
|
[SO4]B:1358 |
3 |
1 |
186 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
15343 |
31.8 |
-3.9 |
0.814 |
0 |
0 |
0 |
0.084 |
26 |
27 |
|
[SO4]A:1360 |
3 |
1 |
184 |
f |
[EDO]A:1355 |
x,y,z |
1_555 |
2 |
1 |
186 |
11.4 |
-0.9 |
0.996 |
0 |
0 |
0 |
0.019 |
27 |
28 |
|
[SO4]B:1358 |
2 |
1 |
186 |
f |
[EDO]B:1356 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.0 |
-0.7 |
0.980 |
0 |
0 |
0 |
0.015 |
|