| ## |
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 |
|
C |
123 |
32 |
21021 |
◊ |
A |
x,y,z |
1_555 |
128 |
34 |
20726 |
1132.2 |
-9.7 |
0.614 |
12 |
0 |
0 |
0.103 |
2 |
|
D |
126 |
32 |
21142 |
◊ |
B |
x,y,z |
1_555 |
123 |
33 |
20915 |
1125.4 |
-10.2 |
0.569 |
12 |
0 |
0 |
0.103 |
| Average: |
1128.8 |
-10.0 |
0.592 |
12 |
0 |
0 |
0.103 |
| 2 |
3 |
|
D |
78 |
20 |
21142 |
◊ |
A |
x,y,z |
1_555 |
82 |
20 |
20726 |
883.2 |
-17.0 |
0.024 |
4 |
4 |
0 |
0.131 |
4 |
|
C |
79 |
20 |
21021 |
◊ |
B |
x,y,z |
1_555 |
80 |
20 |
20915 |
882.1 |
-17.1 |
0.014 |
2 |
4 |
0 |
0.131 |
| Average: |
882.7 |
-17.1 |
0.019 |
3 |
4 |
0 |
0.131 |
| 3 |
5 |
|
[FAD]D:601 |
51 |
1 |
1000 |
f |
D |
x,y,z |
1_555 |
90 |
37 |
21142 |
695.3 |
-9.0 |
0.613 |
13 |
0 |
0 |
0.206 |
6 |
|
[FAD]C:601 |
52 |
1 |
1005 |
f |
C |
x,y,z |
1_555 |
92 |
37 |
21021 |
691.9 |
-8.7 |
0.581 |
10 |
0 |
0 |
0.206 |
7 |
|
[FAD]B:601 |
52 |
1 |
991 |
f |
B |
x,y,z |
1_555 |
95 |
39 |
20915 |
686.5 |
-9.8 |
0.558 |
15 |
0 |
0 |
0.206 |
8 |
|
[FAD]A:601 |
52 |
1 |
985 |
f |
A |
x,y,z |
1_555 |
99 |
41 |
20726 |
681.0 |
-7.6 |
0.625 |
18 |
0 |
0 |
0.206 |
| Average: |
688.7 |
-8.8 |
0.594 |
14 |
0 |
0 |
0.206 |
| 4 |
9 |
|
C |
61 |
19 |
21021 |
◊ |
D |
x-y,x,z-1/6 |
6_554 |
60 |
19 |
21142 |
553.0 |
-5.2 |
0.536 |
2 |
0 |
0 |
0.000 |
| 5 |
10 |
|
[NDP]B:603 |
43 |
1 |
836 |
f |
B |
x,y,z |
1_555 |
64 |
17 |
20915 |
478.1 |
-0.6 |
0.753 |
10 |
0 |
0 |
0.057 |
11 |
|
[NDP]A:604 |
43 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
59 |
16 |
20726 |
471.7 |
-0.3 |
0.792 |
11 |
0 |
0 |
0.057 |
| Average: |
474.9 |
-0.5 |
0.773 |
11 |
0 |
0 |
0.057 |
| 6 |
12 |
|
B |
41 |
19 |
20915 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
41 |
19 |
20915 |
308.8 |
-4.5 |
0.379 |
0 |
0 |
0 |
0.026 |
| 7 |
13 |
|
[NDP]C:602 |
26 |
1 |
597 |
f |
C |
x,y,z |
1_555 |
34 |
12 |
21021 |
290.2 |
2.0 |
0.657 |
6 |
0 |
0 |
0.006 |
14 |
|
[NDP]D:604 |
25 |
1 |
603 |
f |
D |
x,y,z |
1_555 |
36 |
14 |
21142 |
278.5 |
1.8 |
0.622 |
6 |
0 |
0 |
0.006 |
| Average: |
284.4 |
1.9 |
0.639 |
6 |
0 |
0 |
0.006 |
| 8 |
15 |
|
D |
25 |
10 |
21142 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
38 |
12 |
20726 |
281.3 |
-2.6 |
0.570 |
4 |
0 |
0 |
0.012 |
| 9 |
16 |
|
A |
17 |
7 |
20726 |
◊ |
B |
x-y+1,x,z-1/6 |
6_654 |
21 |
7 |
20915 |
197.7 |
-2.6 |
0.342 |
2 |
0 |
0 |
0.000 |
| 10 |
17 |
|
A |
32 |
14 |
20726 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
33 |
14 |
20726 |
189.3 |
-2.1 |
0.633 |
0 |
0 |
0 |
0.003 |
| 11 |
18 |
|
B |
16 |
5 |
20915 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
18 |
7 |
20726 |
148.6 |
-0.6 |
0.684 |
2 |
0 |
0 |
0.004 |
| 12 |
19 |
|
C |
14 |
5 |
21021 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
15 |
5 |
20915 |
138.2 |
-1.0 |
0.491 |
0 |
0 |
0 |
0.006 |
| 13 |
20 |
|
[SO4]C:606 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
21021 |
101.4 |
-13.1 |
0.926 |
4 |
0 |
0 |
0.095 |
| 14 |
21 |
|
[SO4]D:605 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
21142 |
99.6 |
-13.3 |
0.919 |
3 |
0 |
0 |
0.099 |
| 15 |
22 |
|
[SO4]A:602 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
20726 |
96.5 |
-14.7 |
0.791 |
3 |
0 |
0 |
0.109 |
| 16 |
23 |
|
[SO4]B:604 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
20915 |
96.0 |
-13.9 |
0.824 |
3 |
0 |
0 |
0.174 |
| 17 |
24 |
|
[SO4]C:604 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
21021 |
95.0 |
-13.7 |
0.847 |
2 |
0 |
0 |
0.093 |
| 18 |
25 |
|
[SO4]B:606 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20915 |
85.1 |
-10.6 |
0.939 |
2 |
0 |
0 |
0.130 |
| 19 |
26 |
|
[SO4]A:603 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20726 |
85.0 |
-10.9 |
0.712 |
2 |
0 |
0 |
0.080 |
| 20 |
27 |
|
[SO4]C:605 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
21021 |
83.6 |
-12.3 |
0.809 |
3 |
0 |
0 |
0.087 |
| 21 |
28 |
|
[SO4]A:605 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20726 |
81.9 |
-10.0 |
0.946 |
1 |
0 |
0 |
0.071 |
| 22 |
29 |
|
[SO4]D:603 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
21142 |
71.1 |
-10.7 |
0.865 |
2 |
0 |
0 |
0.078 |
| 23 |
30 |
|
[NDP]A:604 |
11 |
1 |
824 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
16 |
1 |
985 |
70.1 |
0.8 |
0.668 |
0 |
0 |
0 |
0.000 |
31 |
|
[NDP]B:603 |
9 |
1 |
836 |
f |
[FAD]B:601 |
x,y,z |
1_555 |
15 |
1 |
991 |
64.6 |
0.7 |
0.672 |
0 |
0 |
0 |
0.000 |
| Average: |
67.4 |
0.7 |
0.670 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[SO4]D:602 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
21142 |
69.8 |
-9.8 |
0.668 |
2 |
0 |
0 |
0.072 |
| 25 |
33 |
|
[NDP]A:604 |
6 |
1 |
824 |
f |
[SO4]A:605 |
x,y,z |
1_555 |
5 |
1 |
186 |
67.3 |
-8.7 |
0.648 |
1 |
0 |
0 |
0.062 |
| 26 |
34 |
|
[SO4]B:605 |
5 |
1 |
186 |
f |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
9 |
3 |
20915 |
65.2 |
-9.2 |
0.609 |
3 |
0 |
0 |
0.119 |
| 27 |
35 |
|
[SO4]C:603 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
21021 |
64.5 |
-9.1 |
0.645 |
1 |
0 |
0 |
0.061 |
| 28 |
36 |
|
[NDP]B:603 |
7 |
1 |
836 |
f |
[SO4]B:606 |
x,y,z |
1_555 |
5 |
1 |
185 |
64.2 |
-8.8 |
0.653 |
1 |
0 |
0 |
0.105 |
| 29 |
37 |
|
[SO4]B:605 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20915 |
57.9 |
-7.8 |
0.839 |
2 |
0 |
0 |
0.099 |
| 30 |
38 |
|
[SO4]B:602 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
20915 |
55.3 |
-6.6 |
0.938 |
3 |
0 |
0 |
0.091 |
| 31 |
39 |
|
[SO4]D:605 |
4 |
1 |
184 |
f |
[FAD]D:601 |
x,y,z |
1_555 |
15 |
1 |
1000 |
54.5 |
-6.6 |
0.879 |
0 |
0 |
0 |
0.045 |
| 32 |
40 |
|
[SO4]C:606 |
4 |
1 |
184 |
f |
[FAD]C:601 |
x,y,z |
1_555 |
16 |
1 |
1005 |
51.9 |
-6.4 |
0.867 |
0 |
0 |
0 |
0.041 |
| 33 |
41 |
|
D |
5 |
1 |
21142 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
21021 |
35.8 |
-1.0 |
0.248 |
0 |
0 |
0 |
0.006 |
42 |
|
B |
5 |
1 |
20915 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
20726 |
35.7 |
-1.0 |
0.254 |
0 |
0 |
0 |
0.006 |
| Average: |
35.7 |
-1.0 |
0.251 |
0 |
0 |
0 |
0.006 |
| 34 |
43 |
|
[SO4]B:606 |
3 |
1 |
185 |
f |
[FAD]B:601 |
x,y,z |
1_555 |
3 |
1 |
991 |
14.2 |
-1.7 |
0.699 |
0 |
0 |
0 |
0.019 |
| 35 |
44 |
|
[SO4]A:605 |
1 |
1 |
186 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
2 |
1 |
985 |
13.9 |
-1.8 |
0.584 |
0 |
0 |
0 |
0.012 |
| 36 |
45 |
|
[SO4]B:605 |
1 |
1 |
186 |
◊ |
C |
-y+1,-x+1,-z+7/6 |
10_666 |
1 |
1 |
21021 |
2.8 |
-0.4 |
0.639 |
0 |
0 |
0 |
0.002 |
|