## |
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 |
52 |
16 |
15471 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
52 |
16 |
15681 |
486.4 |
-7.5 |
0.160 |
4 |
0 |
0 |
0.247 |
2 |
2 |
|
B |
42 |
13 |
15471 |
◊ |
A |
x,y,z |
1_555 |
47 |
14 |
15681 |
363.2 |
-4.2 |
0.367 |
1 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
27 |
8 |
15471 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
31 |
10 |
15681 |
269.4 |
0.5 |
0.698 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
[VAO]B:4001 |
18 |
1 |
419 |
f |
B |
x,y,z |
1_555 |
50 |
16 |
15471 |
265.1 |
3.3 |
0.397 |
6 |
0 |
0 |
0.000 |
5 |
|
[VAO]A:4000 |
18 |
1 |
421 |
f |
A |
x,y,z |
1_555 |
45 |
16 |
15681 |
257.2 |
3.2 |
0.369 |
4 |
0 |
0 |
0.000 |
Average: |
261.1 |
3.3 |
0.383 |
5 |
0 |
0 |
0.000 |
5 |
6 |
|
[EDO]A:1358 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
15681 |
119.8 |
3.4 |
0.652 |
5 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
14 |
4 |
15681 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
2 |
15471 |
115.1 |
-2.1 |
0.273 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]B:1355 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
15471 |
107.8 |
3.1 |
0.505 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]A:1359 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15681 |
107.4 |
3.5 |
0.537 |
3 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]A:1357 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
15681 |
101.8 |
3.3 |
0.536 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]A:1356 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15681 |
99.1 |
3.1 |
0.542 |
3 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]B:1354 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
15471 |
95.9 |
3.4 |
0.550 |
3 |
0 |
0 |
0.000 |
12 |
13 |
|
[SO4]A:1360 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15681 |
81.2 |
-12.8 |
0.694 |
4 |
0 |
0 |
0.388 |
13 |
14 |
|
[SO4]B:1356 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
15471 |
79.1 |
-12.4 |
0.697 |
3 |
0 |
0 |
0.366 |
14 |
15 |
|
[EDO]A:1355 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
15681 |
77.4 |
2.3 |
0.290 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
A |
7 |
2 |
15681 |
x |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
6 |
2 |
15681 |
62.2 |
1.4 |
0.772 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
B |
6 |
2 |
15471 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
10 |
3 |
15681 |
56.5 |
-0.4 |
0.382 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
A |
9 |
2 |
15681 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
15471 |
55.1 |
-1.5 |
0.231 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[MN]A:501 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15681 |
43.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.197 |
20 |
|
[MN]B:501 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15471 |
43.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.197 |
Average: |
43.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.197 |
19 |
21 |
|
[VAO]B:4001 |
10 |
1 |
419 |
f |
[EDO]B:1354 |
x,y,z |
1_555 |
4 |
1 |
183 |
42.4 |
1.9 |
0.291 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[VAO]A:4000 |
8 |
1 |
421 |
f |
[EDO]A:1357 |
x,y,z |
1_555 |
3 |
1 |
184 |
41.7 |
2.2 |
0.381 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[VAO]A:4000 |
6 |
1 |
421 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
41.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.105 |
24 |
|
[VAO]B:4001 |
6 |
1 |
419 |
f |
[MN]B:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
40.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
40.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.105 |
22 |
25 |
|
A |
4 |
1 |
15681 |
◊ |
A |
-x-1,-y,z |
2_455 |
4 |
1 |
15681 |
40.5 |
-0.5 |
0.400 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
B |
4 |
2 |
15471 |
◊ |
[SO4]A:1360 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
186 |
39.8 |
-4.4 |
0.856 |
1 |
0 |
0 |
0.128 |
24 |
27 |
|
[SO4]B:1356 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
15681 |
31.5 |
-3.9 |
0.854 |
0 |
0 |
0 |
0.105 |
25 |
28 |
|
[EDO]B:1354 |
3 |
1 |
183 |
f |
[MN]B:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
9.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
26 |
29 |
|
[EDO]A:1357 |
2 |
1 |
184 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
8.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|