| ## |
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 |
64 |
18 |
8831 |
◊ |
B |
-x+1,-x+y,-z-1/3 |
6_654 |
76 |
20 |
8425 |
541.0 |
-3.1 |
0.456 |
8 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
53 |
15 |
8425 |
◊ |
B |
y,x,-z |
4_555 |
54 |
15 |
8425 |
516.3 |
-6.4 |
0.166 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
52 |
15 |
8425 |
◊ |
A |
x,y,z |
1_555 |
51 |
15 |
8831 |
479.6 |
-5.1 |
0.243 |
7 |
4 |
0 |
0.000 |
| 4 |
4 |
|
[FMN]B:401 |
31 |
1 |
628 |
f |
B |
x,y,z |
1_555 |
63 |
29 |
8425 |
407.3 |
-4.9 |
0.552 |
16 |
0 |
0 |
0.014 |
5 |
|
[FMN]A:401 |
31 |
1 |
628 |
f |
A |
x,y,z |
1_555 |
65 |
29 |
8831 |
407.1 |
-4.7 |
0.555 |
16 |
0 |
0 |
0.014 |
| Average: |
407.2 |
-4.8 |
0.554 |
16 |
0 |
0 |
0.014 |
| 5 |
6 |
|
[ADP]A:501 |
27 |
1 |
559 |
f |
A |
x,y,z |
1_555 |
63 |
24 |
8831 |
372.7 |
-6.9 |
0.529 |
12 |
0 |
0 |
0.015 |
7 |
|
[ADP]B:501 |
27 |
1 |
554 |
f |
B |
x,y,z |
1_555 |
58 |
24 |
8425 |
371.8 |
-6.6 |
0.551 |
13 |
0 |
0 |
0.015 |
| Average: |
372.2 |
-6.7 |
0.540 |
13 |
0 |
0 |
0.015 |
| 6 |
8 |
|
A |
41 |
11 |
8831 |
◊ |
B |
y,x-1,-z |
4_545 |
39 |
14 |
8425 |
327.3 |
-1.1 |
0.521 |
6 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
18 |
5 |
8831 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
18 |
5 |
8831 |
158.2 |
-0.8 |
0.511 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[GOL]A:1339 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
8831 |
121.6 |
-0.5 |
0.557 |
2 |
0 |
0 |
0.002 |
| 9 |
11 |
|
[SO4]B:1338 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
8425 |
57.0 |
-6.7 |
0.897 |
3 |
0 |
0 |
0.010 |
| 10 |
12 |
|
[SO4]A:1340 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8831 |
56.6 |
-6.8 |
0.897 |
2 |
0 |
0 |
0.009 |
| 11 |
13 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
8831 |
49.3 |
-35.6 |
0.000 |
0 |
0 |
0 |
0.042 |
14 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
8425 |
49.3 |
-35.4 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
49.3 |
-35.5 |
0.000 |
0 |
0 |
0 |
0.042 |
| 12 |
15 |
|
[ADP]A:501 |
6 |
1 |
559 |
f |
[FMN]A:401 |
x,y,z |
1_555 |
5 |
1 |
628 |
47.7 |
-4.5 |
0.257 |
0 |
0 |
0 |
0.005 |
16 |
|
[ADP]B:501 |
6 |
1 |
554 |
f |
[FMN]B:401 |
x,y,z |
1_555 |
5 |
1 |
628 |
46.8 |
-4.4 |
0.254 |
0 |
0 |
0 |
0.005 |
| Average: |
47.3 |
-4.4 |
0.256 |
0 |
0 |
0 |
0.005 |
| 13 |
17 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8425 |
31.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
18 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8831 |
30.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
30.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 14 |
19 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[ADP]A:501 |
x,y,z |
1_555 |
4 |
1 |
559 |
29.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
20 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
[ADP]B:501 |
x,y,z |
1_555 |
4 |
1 |
554 |
29.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
29.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 15 |
21 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
[FMN]B:401 |
x,y,z |
1_555 |
4 |
1 |
628 |
23.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
22 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[FMN]A:401 |
x,y,z |
1_555 |
4 |
1 |
628 |
23.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
23.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 16 |
23 |
|
[ADP]B:501 |
1 |
1 |
554 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8831 |
1.5 |
-0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
24 |
|
[ADP]A:501 |
1 |
1 |
559 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8425 |
0.5 |
-0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
| Average: |
1.0 |
-0.1 |
0.472 |
0 |
0 |
0 |
0.000 |
|