| ## |
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 |
241 |
70 |
17305 |
◊ |
A |
x,y,z |
1_555 |
195 |
47 |
8974 |
2066.5 |
-26.5 |
0.013 |
26 |
7 |
0 |
0.427 |
2 |
|
D |
241 |
70 |
17176 |
◊ |
C |
x,y,z |
1_555 |
194 |
47 |
8976 |
2059.4 |
-27.0 |
0.013 |
29 |
7 |
0 |
0.427 |
| Average: |
2062.9 |
-26.7 |
0.013 |
28 |
7 |
0 |
0.427 |
| 2 |
3 |
|
D |
73 |
23 |
17176 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
71 |
23 |
17305 |
728.8 |
-11.1 |
0.034 |
3 |
6 |
0 |
0.013 |
| 3 |
4 |
|
[NAD]B:503 |
42 |
1 |
851 |
f |
B |
x,y,z |
1_555 |
73 |
27 |
17305 |
543.3 |
-7.1 |
0.339 |
4 |
0 |
0 |
0.093 |
5 |
|
[NAD]D:503 |
41 |
1 |
853 |
f |
D |
x,y,z |
1_555 |
76 |
27 |
17176 |
537.9 |
-7.6 |
0.287 |
3 |
0 |
0 |
0.093 |
| Average: |
540.6 |
-7.3 |
0.313 |
4 |
0 |
0 |
0.093 |
| 4 |
6 |
|
D |
50 |
14 |
17176 |
◊ |
B |
x,y,z |
1_555 |
47 |
11 |
17305 |
422.6 |
-2.6 |
0.391 |
2 |
1 |
0 |
0.000 |
| 5 |
7 |
|
[FMN]D:502 |
31 |
1 |
611 |
f |
D |
x,y,z |
1_555 |
66 |
24 |
17176 |
359.7 |
-6.2 |
0.503 |
9 |
0 |
0 |
0.107 |
8 |
|
[FMN]B:502 |
31 |
1 |
609 |
f |
B |
x,y,z |
1_555 |
65 |
24 |
17305 |
358.8 |
-6.0 |
0.530 |
9 |
0 |
0 |
0.107 |
| Average: |
359.2 |
-6.1 |
0.517 |
9 |
0 |
0 |
0.107 |
| 6 |
9 |
|
B |
42 |
10 |
17305 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
35 |
10 |
8974 |
329.1 |
2.0 |
0.814 |
4 |
5 |
0 |
0.000 |
10 |
|
C |
32 |
11 |
8976 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
41 |
10 |
17176 |
324.2 |
2.3 |
0.836 |
4 |
5 |
0 |
0.000 |
| Average: |
326.6 |
2.2 |
0.825 |
4 |
5 |
0 |
0.000 |
| 7 |
11 |
|
D |
37 |
12 |
17176 |
x |
D |
-x,y-1/2,-z-1 |
2_544 |
34 |
11 |
17176 |
302.6 |
-0.2 |
0.619 |
1 |
0 |
0 |
0.000 |
12 |
|
B |
34 |
10 |
17305 |
x |
B |
-x,y-1/2,-z |
2_545 |
37 |
11 |
17305 |
293.0 |
-0.6 |
0.578 |
1 |
0 |
0 |
0.000 |
| Average: |
297.8 |
-0.4 |
0.599 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[MPO]D:504 |
12 |
1 |
365 |
f |
D |
x,y,z |
1_555 |
31 |
14 |
17176 |
204.8 |
5.7 |
0.389 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[MPO]B:505 |
12 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
35 |
15 |
17305 |
203.6 |
5.4 |
0.358 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[SF4]B:501 |
8 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
23 |
13 |
17305 |
178.5 |
-20.8 |
0.355 |
2 |
0 |
0 |
0.227 |
16 |
|
[SF4]D:501 |
8 |
1 |
309 |
f |
D |
x,y,z |
1_555 |
22 |
13 |
17176 |
178.1 |
-20.9 |
0.356 |
2 |
0 |
0 |
0.227 |
| Average: |
178.3 |
-20.8 |
0.355 |
2 |
0 |
0 |
0.227 |
| 11 |
17 |
|
D |
24 |
8 |
17176 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
20 |
8 |
8974 |
172.3 |
-0.8 |
0.525 |
3 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[NAD]B:503 |
22 |
1 |
851 |
f |
[FMN]B:502 |
x,y,z |
1_555 |
23 |
1 |
609 |
163.6 |
-0.2 |
0.821 |
2 |
0 |
0 |
0.011 |
19 |
|
[NAD]D:503 |
22 |
1 |
853 |
f |
[FMN]D:502 |
x,y,z |
1_555 |
23 |
1 |
611 |
160.8 |
-0.2 |
0.820 |
2 |
0 |
0 |
0.011 |
| Average: |
162.2 |
-0.2 |
0.820 |
2 |
0 |
0 |
0.011 |
| 13 |
20 |
|
[FES]A:200 |
4 |
1 |
236 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
8974 |
114.0 |
-14.8 |
0.584 |
2 |
0 |
0 |
0.166 |
21 |
|
[FES]C:200 |
4 |
1 |
234 |
f |
C |
x,y,z |
1_555 |
18 |
11 |
8976 |
112.8 |
-14.6 |
0.582 |
3 |
0 |
0 |
0.166 |
| Average: |
113.4 |
-14.7 |
0.583 |
3 |
0 |
0 |
0.166 |
| 14 |
22 |
|
[NA]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
17305 |
71.8 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.114 |
| 15 |
23 |
|
[NAD]D:503 |
7 |
1 |
853 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
17305 |
64.3 |
1.1 |
0.715 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
B |
7 |
3 |
17305 |
x |
B |
x,y-1,z |
1_545 |
6 |
3 |
17305 |
38.0 |
0.2 |
0.637 |
1 |
0 |
0 |
0.000 |
25 |
|
D |
5 |
2 |
17176 |
x |
D |
x,y-1,z |
1_545 |
7 |
3 |
17176 |
36.9 |
0.2 |
0.640 |
1 |
0 |
0 |
0.000 |
| Average: |
37.5 |
0.2 |
0.638 |
1 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[FES]A:200 |
2 |
1 |
236 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
17305 |
25.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.027 |
27 |
|
[FES]C:200 |
2 |
1 |
234 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
17176 |
25.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
25.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| 18 |
28 |
|
[NA]B:504 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8974 |
3.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 19 |
29 |
|
[FMN]D:502 |
1 |
1 |
611 |
f |
[SF4]D:501 |
x,y,z |
1_555 |
2 |
1 |
309 |
3.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
30 |
|
[FMN]B:502 |
1 |
1 |
609 |
f |
[SF4]B:501 |
x,y,z |
1_555 |
1 |
1 |
307 |
2.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
2.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 20 |
31 |
|
D |
1 |
1 |
17176 |
◊ |
[SF4]B:501 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
307 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[SF4]D:501 |
1 |
1 |
309 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
17305 |
2.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 21 |
33 |
|
D |
1 |
1 |
17176 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
17305 |
2.3 |
-0.1 |
0.497 |
0 |
0 |
0 |
0.000 |
|