## |
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 |
|
D |
208 |
55 |
14721 |
◊ |
B |
x,y,z |
1_555 |
197 |
52 |
14237 |
1869.2 |
-24.0 |
0.119 |
28 |
11 |
0 |
0.423 |
2 |
|
C |
192 |
53 |
14460 |
◊ |
A |
x,y,z |
1_555 |
203 |
56 |
14965 |
1864.2 |
-25.4 |
0.094 |
27 |
10 |
0 |
0.423 |
Average: |
1866.7 |
-24.7 |
0.106 |
28 |
11 |
0 |
0.423 |
2 |
3 |
|
D |
159 |
41 |
14721 |
◊ |
A |
x,y,z |
1_555 |
147 |
42 |
14965 |
1612.2 |
-18.4 |
0.153 |
28 |
19 |
0 |
0.432 |
4 |
|
C |
147 |
38 |
14460 |
◊ |
B |
x,y,z |
1_555 |
153 |
40 |
14237 |
1608.6 |
-16.3 |
0.226 |
29 |
18 |
0 |
0.432 |
Average: |
1610.4 |
-17.4 |
0.189 |
29 |
19 |
0 |
0.432 |
3 |
5 |
|
B |
147 |
40 |
14237 |
◊ |
A |
x,y,z |
1_555 |
156 |
41 |
14965 |
1292.0 |
-13.9 |
0.303 |
17 |
0 |
0 |
0.388 |
6 |
|
D |
143 |
40 |
14721 |
◊ |
C |
x,y,z |
1_555 |
140 |
39 |
14460 |
1258.5 |
-15.1 |
0.217 |
18 |
0 |
0 |
0.388 |
Average: |
1275.2 |
-14.5 |
0.260 |
18 |
0 |
0 |
0.388 |
4 |
7 |
|
A |
49 |
14 |
14965 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
49 |
14 |
14237 |
461.1 |
-2.5 |
0.535 |
5 |
7 |
0 |
0.000 |
5 |
8 |
|
A |
35 |
10 |
14965 |
◊ |
A |
-x+1,y,-z |
2_655 |
35 |
10 |
14965 |
341.6 |
3.7 |
0.900 |
4 |
10 |
0 |
0.000 |
6 |
9 |
|
[FAD]D:301 |
39 |
1 |
958 |
f |
A |
x,y,z |
1_555 |
44 |
10 |
14965 |
339.1 |
-3.0 |
0.628 |
8 |
0 |
0 |
0.228 |
10 |
|
[FAD]B:301 |
38 |
1 |
950 |
f |
C |
x,y,z |
1_555 |
41 |
10 |
14460 |
327.6 |
-3.3 |
0.633 |
8 |
0 |
0 |
0.228 |
11 |
|
[FAD]A:301 |
38 |
1 |
949 |
f |
D |
x,y,z |
1_555 |
41 |
10 |
14721 |
322.7 |
-3.1 |
0.616 |
7 |
0 |
0 |
0.228 |
12 |
|
[FAD]C:301 |
36 |
1 |
964 |
f |
B |
x,y,z |
1_555 |
40 |
10 |
14237 |
322.0 |
-3.2 |
0.621 |
7 |
0 |
0 |
0.228 |
Average: |
327.8 |
-3.1 |
0.625 |
8 |
0 |
0 |
0.228 |
7 |
13 |
|
[FAD]C:301 |
39 |
1 |
964 |
◊ |
C |
x,y,z |
1_555 |
37 |
13 |
14460 |
303.5 |
-3.3 |
0.623 |
6 |
0 |
0 |
0.149 |
14 |
|
[FAD]A:301 |
38 |
1 |
949 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
14965 |
292.9 |
-2.7 |
0.645 |
4 |
0 |
0 |
0.149 |
15 |
|
[FAD]B:301 |
38 |
1 |
950 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
14237 |
287.8 |
-3.0 |
0.648 |
7 |
0 |
0 |
0.149 |
16 |
|
[FAD]D:301 |
39 |
1 |
958 |
◊ |
D |
x,y,z |
1_555 |
38 |
12 |
14721 |
284.1 |
-2.5 |
0.648 |
5 |
0 |
0 |
0.149 |
Average: |
292.1 |
-2.9 |
0.641 |
6 |
0 |
0 |
0.149 |
8 |
17 |
|
C |
28 |
7 |
14460 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
28 |
7 |
14460 |
246.5 |
-4.3 |
0.253 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
B |
29 |
10 |
14237 |
◊ |
D |
x,y-1,z |
1_545 |
24 |
5 |
14721 |
208.9 |
-1.3 |
0.528 |
3 |
0 |
0 |
0.000 |
10 |
19 |
|
[FAD]A:301 |
18 |
1 |
949 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
14237 |
183.1 |
2.1 |
0.827 |
5 |
0 |
0 |
0.000 |
20 |
|
[FAD]D:301 |
21 |
1 |
958 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
14460 |
182.9 |
2.5 |
0.842 |
4 |
0 |
0 |
0.000 |
21 |
|
[FAD]B:301 |
18 |
1 |
950 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
14965 |
175.4 |
2.7 |
0.848 |
5 |
0 |
0 |
0.000 |
22 |
|
[FAD]C:301 |
20 |
1 |
964 |
◊ |
D |
x,y,z |
1_555 |
25 |
11 |
14721 |
175.1 |
2.6 |
0.844 |
4 |
0 |
0 |
0.000 |
Average: |
179.1 |
2.5 |
0.840 |
5 |
0 |
0 |
0.000 |
11 |
23 |
|
A |
13 |
4 |
14965 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
12 |
4 |
14965 |
134.2 |
-0.8 |
0.472 |
0 |
0 |
0 |
0.000 |
12 |
24 |
|
D |
17 |
7 |
14721 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
9 |
3 |
14460 |
122.6 |
0.0 |
0.654 |
1 |
2 |
0 |
0.000 |
13 |
25 |
|
D |
11 |
3 |
14721 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
9 |
3 |
14237 |
83.1 |
1.1 |
0.730 |
1 |
1 |
0 |
0.000 |
14 |
26 |
|
[PO4]D:303 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
14721 |
73.1 |
-4.0 |
0.809 |
4 |
0 |
0 |
0.097 |
15 |
27 |
|
[PO4]B:302 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
14237 |
69.5 |
-3.9 |
0.856 |
3 |
0 |
0 |
0.093 |
16 |
28 |
|
[PO4]D:302 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
14721 |
68.9 |
-3.0 |
0.893 |
3 |
0 |
0 |
0.073 |
17 |
29 |
|
[PO4]C:302 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
14460 |
66.7 |
-3.4 |
0.868 |
4 |
0 |
0 |
0.087 |
18 |
30 |
|
[PO4]B:303 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
14721 |
66.2 |
-2.9 |
0.886 |
4 |
0 |
0 |
0.051 |
19 |
31 |
|
[PO4]A:303 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14965 |
66.0 |
-3.8 |
0.808 |
4 |
0 |
0 |
0.099 |
20 |
32 |
|
[PO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14237 |
66.0 |
-3.7 |
0.822 |
4 |
0 |
0 |
0.097 |
21 |
33 |
|
[PO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
14965 |
65.9 |
-2.5 |
0.919 |
2 |
0 |
0 |
0.061 |
22 |
34 |
|
[PO4]C:303 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
14460 |
65.8 |
-3.4 |
0.834 |
4 |
0 |
0 |
0.087 |
23 |
35 |
|
[PO4]C:303 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
14965 |
64.6 |
-2.7 |
0.899 |
3 |
0 |
0 |
0.044 |
24 |
36 |
|
[PO4]A:303 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
14460 |
62.9 |
-2.6 |
0.889 |
4 |
0 |
0 |
0.047 |
25 |
37 |
|
[FAD]C:301 |
7 |
1 |
964 |
◊ |
[FAD]B:301 |
x,y,z |
1_555 |
7 |
1 |
950 |
54.5 |
-0.6 |
0.573 |
0 |
0 |
0 |
0.007 |
38 |
|
[FAD]D:301 |
7 |
1 |
958 |
◊ |
[FAD]A:301 |
x,y,z |
1_555 |
7 |
1 |
949 |
53.7 |
-0.5 |
0.570 |
0 |
0 |
0 |
0.007 |
Average: |
54.1 |
-0.5 |
0.572 |
0 |
0 |
0 |
0.007 |
26 |
39 |
|
[PO4]D:303 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14237 |
54.3 |
-2.8 |
0.862 |
2 |
0 |
0 |
0.041 |
27 |
40 |
|
[PO4]D:302 |
4 |
1 |
187 |
f |
[FAD]A:301 |
x,y,z |
1_555 |
13 |
1 |
949 |
42.1 |
-1.4 |
0.871 |
0 |
0 |
0 |
0.024 |
28 |
41 |
|
[PO4]C:302 |
3 |
1 |
187 |
f |
[FAD]B:301 |
x,y,z |
1_555 |
14 |
1 |
950 |
40.8 |
-1.4 |
0.839 |
0 |
0 |
0 |
0.024 |
29 |
42 |
|
[PO4]A:302 |
4 |
1 |
186 |
f |
[FAD]D:301 |
x,y,z |
1_555 |
13 |
1 |
958 |
40.2 |
-1.3 |
0.865 |
0 |
0 |
0 |
0.024 |
30 |
43 |
|
[PO4]A:302 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
14460 |
36.3 |
-1.9 |
0.712 |
1 |
0 |
0 |
0.025 |
31 |
44 |
|
[PO4]B:302 |
4 |
1 |
187 |
f |
[FAD]C:301 |
x,y,z |
1_555 |
13 |
1 |
964 |
35.0 |
-1.2 |
0.861 |
0 |
0 |
0 |
0.021 |
32 |
45 |
|
[PO4]D:303 |
4 |
1 |
185 |
◊ |
[PO4]B:302 |
x,y,z |
1_555 |
4 |
1 |
187 |
33.3 |
-3.2 |
0.973 |
0 |
0 |
0 |
0.035 |
33 |
46 |
|
[PO4]C:303 |
4 |
1 |
186 |
◊ |
[PO4]A:302 |
x,y,z |
1_555 |
4 |
1 |
186 |
32.4 |
-3.0 |
0.973 |
0 |
0 |
0 |
0.033 |
34 |
47 |
|
[PO4]C:302 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14965 |
31.4 |
-1.9 |
0.608 |
0 |
0 |
0 |
0.021 |
35 |
48 |
|
[PO4]C:302 |
4 |
1 |
187 |
◊ |
[PO4]A:303 |
x,y,z |
1_555 |
4 |
1 |
188 |
31.2 |
-2.9 |
0.973 |
0 |
0 |
0 |
0.032 |
36 |
49 |
|
[PO4]D:302 |
4 |
1 |
187 |
◊ |
[PO4]B:303 |
x,y,z |
1_555 |
4 |
1 |
186 |
30.4 |
-2.9 |
0.973 |
0 |
0 |
0 |
0.032 |
37 |
50 |
|
[PO4]D:302 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14237 |
30.0 |
-1.7 |
0.681 |
0 |
0 |
0 |
0.018 |
38 |
51 |
|
[PO4]B:302 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
14721 |
26.1 |
-1.1 |
0.808 |
0 |
0 |
0 |
0.012 |
39 |
52 |
|
D |
2 |
2 |
14721 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
2 |
2 |
14721 |
12.8 |
0.9 |
0.901 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
[FAD]D:301 |
4 |
1 |
958 |
◊ |
[FAD]C:301 |
x,y,z |
1_555 |
4 |
1 |
964 |
7.2 |
0.2 |
0.608 |
0 |
0 |
0 |
0.000 |
54 |
|
[FAD]B:301 |
1 |
1 |
950 |
◊ |
[FAD]A:301 |
x,y,z |
1_555 |
1 |
1 |
949 |
1.0 |
0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
Average: |
4.1 |
0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
41 |
55 |
|
[PO4]A:303 |
1 |
1 |
188 |
◊ |
[FAD]B:301 |
x,y,z |
1_555 |
4 |
1 |
950 |
5.5 |
-0.1 |
0.711 |
0 |
0 |
0 |
0.001 |
42 |
56 |
|
[PO4]C:303 |
2 |
1 |
186 |
◊ |
[FAD]D:301 |
x,y,z |
1_555 |
3 |
1 |
958 |
5.4 |
-0.1 |
0.753 |
0 |
0 |
0 |
0.001 |
43 |
57 |
|
[PO4]D:303 |
2 |
1 |
185 |
◊ |
[FAD]C:301 |
x,y,z |
1_555 |
4 |
1 |
964 |
4.3 |
-0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
44 |
58 |
|
[PO4]B:303 |
1 |
1 |
186 |
◊ |
[FAD]A:301 |
x,y,z |
1_555 |
1 |
1 |
949 |
0.5 |
-0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
|