## |
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 |
|
E |
205 |
55 |
16397 |
◊ |
D |
x,y,z |
1_555 |
210 |
55 |
16476 |
1916.9 |
-23.0 |
0.037 |
20 |
12 |
0 |
0.273 |
2 |
|
B |
200 |
53 |
16874 |
◊ |
A |
x,y,z |
1_555 |
205 |
53 |
16372 |
1897.3 |
-22.9 |
0.031 |
21 |
13 |
0 |
0.273 |
Average: |
1907.1 |
-22.9 |
0.034 |
21 |
13 |
0 |
0.273 |
2 |
3 |
|
E |
161 |
41 |
16397 |
◊ |
B |
x,y,z |
1_555 |
157 |
42 |
16874 |
1403.7 |
-10.9 |
0.254 |
21 |
20 |
0 |
0.205 |
4 |
|
D |
159 |
41 |
16476 |
◊ |
A |
x,y,z |
1_555 |
152 |
42 |
16372 |
1399.5 |
-11.5 |
0.200 |
22 |
21 |
0 |
0.205 |
Average: |
1401.6 |
-11.2 |
0.227 |
22 |
21 |
0 |
0.205 |
3 |
5 |
|
E |
63 |
16 |
16397 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
80 |
23 |
16372 |
649.5 |
0.1 |
0.638 |
9 |
7 |
0 |
0.000 |
4 |
6 |
|
E |
54 |
17 |
16397 |
◊ |
A |
x-1,y,z |
1_455 |
64 |
17 |
16372 |
498.5 |
7.3 |
0.955 |
7 |
6 |
0 |
0.000 |
5 |
7 |
|
[FMN]D:2701 |
30 |
1 |
627 |
f |
D |
x,y,z |
1_555 |
51 |
17 |
16476 |
364.4 |
-7.8 |
0.383 |
17 |
0 |
0 |
0.280 |
8 |
|
[FMN]B:1701 |
30 |
1 |
630 |
f |
B |
x,y,z |
1_555 |
52 |
17 |
16874 |
364.0 |
-7.7 |
0.384 |
19 |
0 |
0 |
0.280 |
9 |
|
[FMN]A:701 |
30 |
1 |
630 |
f |
A |
x,y,z |
1_555 |
52 |
17 |
16372 |
363.6 |
-7.8 |
0.364 |
17 |
0 |
0 |
0.280 |
10 |
|
[FMN]E:3701 |
30 |
1 |
626 |
f |
E |
x,y,z |
1_555 |
51 |
17 |
16397 |
355.8 |
-7.6 |
0.388 |
18 |
0 |
0 |
0.280 |
Average: |
362.0 |
-7.7 |
0.380 |
18 |
0 |
0 |
0.280 |
6 |
11 |
|
D |
40 |
11 |
16476 |
◊ |
E |
x,y,z-1 |
1_554 |
35 |
8 |
16397 |
334.9 |
1.0 |
0.721 |
4 |
4 |
0 |
0.000 |
7 |
12 |
|
B |
14 |
4 |
16874 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
5 |
16476 |
160.1 |
2.3 |
0.842 |
0 |
3 |
0 |
0.000 |
8 |
13 |
|
B |
20 |
6 |
16874 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
5 |
16372 |
153.5 |
6.0 |
0.976 |
5 |
9 |
0 |
0.000 |
9 |
14 |
|
D |
21 |
7 |
16476 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
16874 |
140.9 |
-0.5 |
0.542 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[FMN]A:701 |
17 |
1 |
630 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
16874 |
128.2 |
-1.1 |
0.613 |
0 |
0 |
0 |
0.016 |
16 |
|
[FMN]D:2701 |
15 |
1 |
627 |
◊ |
E |
x,y,z |
1_555 |
22 |
7 |
16397 |
125.1 |
-1.1 |
0.595 |
0 |
0 |
0 |
0.016 |
17 |
|
[FMN]B:1701 |
15 |
1 |
630 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
16372 |
121.3 |
-1.0 |
0.600 |
0 |
0 |
0 |
0.016 |
18 |
|
[FMN]E:3701 |
16 |
1 |
626 |
◊ |
D |
x,y,z |
1_555 |
24 |
7 |
16476 |
119.9 |
-1.0 |
0.613 |
0 |
0 |
0 |
0.016 |
Average: |
123.6 |
-1.0 |
0.605 |
0 |
0 |
0 |
0.016 |
11 |
19 |
|
D |
11 |
5 |
16476 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
2 |
16372 |
88.6 |
1.8 |
0.821 |
3 |
5 |
0 |
0.000 |
12 |
20 |
|
E |
8 |
5 |
16397 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
10 |
4 |
16874 |
83.0 |
0.6 |
0.581 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[SO4]D:2414 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
16476 |
67.2 |
-14.9 |
0.146 |
3 |
0 |
0 |
0.123 |
14 |
22 |
|
[FE]E:3501 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
12 |
9 |
16397 |
60.5 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.226 |
23 |
|
[FE]B:1501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
16874 |
59.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.226 |
24 |
|
[FE]A:501 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
7 |
6 |
16372 |
58.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.226 |
25 |
|
[FE]D:2501 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
11 |
8 |
16476 |
47.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
56.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.226 |
15 |
26 |
|
[FE]E:3502 |
1 |
1 |
137 |
cf |
E |
x,y,z |
1_555 |
11 |
8 |
16397 |
56.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.198 |
27 |
|
[FE]B:1502 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
16874 |
56.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.198 |
28 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
16372 |
54.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.198 |
29 |
|
[FE]D:2502 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
16476 |
45.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.198 |
Average: |
53.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.198 |
16 |
30 |
|
B |
7 |
3 |
16874 |
◊ |
A |
x-1,y,z-1 |
1_454 |
11 |
5 |
16372 |
54.1 |
0.7 |
0.712 |
1 |
0 |
0 |
0.000 |
17 |
31 |
|
[SO4]D:2414 |
4 |
1 |
185 |
cf |
[FE]D:2501 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.045 |
18 |
32 |
|
[FE]B:1502 |
1 |
1 |
137 |
f |
[FE]B:1501 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.046 |
19 |
33 |
|
[FE]E:3502 |
1 |
1 |
137 |
f |
[FE]E:3501 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.045 |
20 |
34 |
|
[SO4]D:2414 |
4 |
1 |
185 |
f |
[FE]D:2502 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.040 |
21 |
35 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.040 |
22 |
36 |
|
E |
2 |
1 |
16397 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
16874 |
20.4 |
0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
[FE]D:2502 |
1 |
1 |
137 |
f |
[FE]D:2501 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.030 |
24 |
38 |
|
A |
4 |
2 |
16372 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
16874 |
18.1 |
0.8 |
0.823 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
D |
1 |
1 |
16476 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
16372 |
15.0 |
0.7 |
0.916 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[SO4]D:2414 |
3 |
1 |
185 |
◊ |
[FMN]E:3701 |
x,y,z |
1_555 |
2 |
1 |
626 |
14.1 |
-1.6 |
0.683 |
0 |
0 |
0 |
0.011 |
27 |
41 |
|
[FMN]B:1701 |
4 |
1 |
630 |
◊ |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
7.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
42 |
|
[FMN]D:2701 |
4 |
1 |
627 |
◊ |
[FE]E:3502 |
x,y,z |
1_555 |
1 |
1 |
137 |
7.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
43 |
|
[FMN]E:3701 |
4 |
1 |
626 |
◊ |
[FE]D:2502 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
44 |
|
[FMN]A:701 |
4 |
1 |
630 |
◊ |
[FE]B:1502 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
6.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
28 |
45 |
|
E |
1 |
1 |
16397 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
16476 |
6.9 |
0.3 |
0.850 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
[SO4]D:2414 |
1 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16397 |
6.2 |
-0.5 |
0.800 |
0 |
0 |
0 |
0.003 |
30 |
47 |
|
D |
1 |
1 |
16476 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
16874 |
0.4 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
|