| ## |
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 |
412 |
109 |
22813 |
◊ |
A |
x,y,z |
1_555 |
418 |
110 |
22816 |
3856.7 |
-55.9 |
0.001 |
29 |
5 |
0 |
0.000 |
| 2 |
2 |
|
[FAD]A:501 |
52 |
1 |
995 |
f |
A |
x,y,z |
1_555 |
118 |
46 |
22816 |
742.7 |
-9.4 |
0.395 |
11 |
0 |
0 |
0.043 |
3 |
|
[FAD]B:501 |
51 |
1 |
992 |
f |
B |
x,y,z |
1_555 |
114 |
46 |
22813 |
739.3 |
-9.0 |
0.421 |
11 |
0 |
0 |
0.043 |
| Average: |
741.0 |
-9.2 |
0.408 |
11 |
0 |
0 |
0.043 |
| 3 |
4 |
|
B |
57 |
20 |
22813 |
◊ |
B |
y+1/2,x-1/2,-z+1/2 |
15_545 |
56 |
20 |
22813 |
491.4 |
3.3 |
0.867 |
4 |
6 |
0 |
0.000 |
| 4 |
5 |
|
B |
44 |
14 |
22813 |
◊ |
B |
x,-y,-z+1 |
6_556 |
44 |
14 |
22813 |
342.8 |
-2.2 |
0.485 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
31 |
12 |
22813 |
◊ |
A |
y+1/2,x-1/2,-z+1/2 |
15_545 |
30 |
9 |
22816 |
295.2 |
-1.2 |
0.531 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
35 |
10 |
22816 |
x |
A |
-y,x,z |
3_555 |
35 |
10 |
22816 |
289.2 |
-0.3 |
0.632 |
4 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
41 |
9 |
22813 |
◊ |
B |
-x+1,-y,z |
2_655 |
41 |
9 |
22813 |
282.7 |
-2.8 |
0.419 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[MES]A:503 |
11 |
1 |
339 |
f |
A |
x,y,z |
1_555 |
35 |
12 |
22816 |
210.7 |
4.6 |
0.231 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[MES]B:502 |
12 |
1 |
329 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
22813 |
188.6 |
3.6 |
0.141 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[MES]A:502 |
11 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
22816 |
184.5 |
4.2 |
0.237 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[SO4]A:504 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
22816 |
90.9 |
-13.1 |
0.626 |
2 |
0 |
0 |
0.021 |
| 12 |
13 |
|
[SO4]A:505 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
22816 |
87.5 |
-12.7 |
0.665 |
2 |
0 |
0 |
0.020 |
| 13 |
14 |
|
[SO4]A:508 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
22816 |
77.1 |
-11.8 |
0.686 |
2 |
0 |
0 |
0.019 |
| 14 |
15 |
|
[SO4]B:504 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
22813 |
76.6 |
-11.0 |
0.739 |
5 |
0 |
0 |
0.041 |
| 15 |
16 |
|
[SO4]A:507 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
22816 |
70.9 |
-10.2 |
0.685 |
1 |
0 |
0 |
0.016 |
| 16 |
17 |
|
[SO4]B:503 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
22813 |
64.0 |
-7.5 |
0.913 |
3 |
0 |
0 |
0.027 |
| 17 |
18 |
|
[SO4]A:506 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
22816 |
58.2 |
-5.8 |
0.947 |
2 |
0 |
0 |
0.010 |
| 18 |
19 |
|
[FAD]A:501 |
5 |
1 |
995 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
22813 |
46.8 |
0.3 |
0.618 |
1 |
0 |
0 |
0.000 |
20 |
|
[FAD]B:501 |
5 |
1 |
992 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
22816 |
45.5 |
0.5 |
0.632 |
1 |
0 |
0 |
0.000 |
| Average: |
46.2 |
0.4 |
0.625 |
1 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[SO4]A:504 |
4 |
1 |
186 |
f |
[MES]A:502 |
x,y,z |
1_555 |
6 |
1 |
334 |
44.3 |
-4.1 |
0.111 |
0 |
0 |
0 |
0.006 |
| 20 |
22 |
|
[MES]A:503 |
3 |
1 |
339 |
f |
[MES]A:502 |
x,y,z |
1_555 |
7 |
1 |
334 |
36.2 |
2.1 |
0.021 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[SO4]A:504 |
4 |
1 |
186 |
f |
[MES]A:503 |
x,y,z |
1_555 |
3 |
1 |
339 |
33.5 |
-2.4 |
0.357 |
0 |
0 |
0 |
0.004 |
| 22 |
24 |
|
[SO4]B:504 |
3 |
1 |
187 |
◊ |
A |
y+1/2,x-1/2,-z+1/2 |
15_545 |
1 |
1 |
22816 |
11.2 |
-0.7 |
0.968 |
0 |
0 |
0 |
0.000 |
|