## |
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 |
21149 |
◊ |
A |
x,y,z |
1_555 |
125 |
34 |
21717 |
1139.1 |
-9.4 |
0.400 |
11 |
0 |
0 |
0.073 |
2 |
|
D |
123 |
32 |
21207 |
◊ |
B |
x,y,z |
1_555 |
124 |
33 |
21504 |
1124.8 |
-9.3 |
0.382 |
9 |
0 |
0 |
0.073 |
Average: |
1131.9 |
-9.3 |
0.391 |
10 |
0 |
0 |
0.073 |
2 |
3 |
|
C |
83 |
21 |
21149 |
◊ |
B |
x,y,z |
1_555 |
82 |
21 |
21504 |
889.4 |
-16.3 |
0.012 |
3 |
4 |
0 |
0.108 |
4 |
|
D |
82 |
21 |
21207 |
◊ |
A |
x,y,z |
1_555 |
85 |
21 |
21717 |
883.8 |
-16.9 |
0.008 |
2 |
4 |
0 |
0.108 |
Average: |
886.6 |
-16.6 |
0.010 |
3 |
4 |
0 |
0.108 |
3 |
5 |
|
[FAD]D:2001 |
53 |
1 |
990 |
f |
D |
x,y,z |
1_555 |
99 |
38 |
21207 |
696.4 |
-8.7 |
0.516 |
11 |
0 |
0 |
0.161 |
6 |
|
[FAD]C:2001 |
53 |
1 |
985 |
f |
C |
x,y,z |
1_555 |
97 |
38 |
21149 |
695.3 |
-9.3 |
0.515 |
11 |
0 |
0 |
0.161 |
7 |
|
[FAD]A:2001 |
53 |
1 |
983 |
f |
A |
x,y,z |
1_555 |
100 |
39 |
21717 |
693.2 |
-9.3 |
0.459 |
11 |
0 |
0 |
0.161 |
8 |
|
[FAD]B:2001 |
53 |
1 |
980 |
f |
B |
x,y,z |
1_555 |
102 |
38 |
21504 |
692.4 |
-8.7 |
0.496 |
10 |
0 |
0 |
0.161 |
Average: |
694.3 |
-9.0 |
0.496 |
11 |
0 |
0 |
0.161 |
4 |
9 |
|
C |
52 |
18 |
21149 |
◊ |
D |
x-y,x,z-1/6 |
6_554 |
58 |
18 |
21207 |
541.0 |
-4.5 |
0.420 |
2 |
0 |
0 |
0.000 |
5 |
10 |
|
B |
52 |
18 |
21504 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
53 |
18 |
21504 |
407.5 |
-3.5 |
0.469 |
0 |
0 |
0 |
0.018 |
6 |
11 |
|
A |
43 |
15 |
21717 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
44 |
15 |
21717 |
360.3 |
-2.6 |
0.499 |
2 |
2 |
0 |
0.005 |
7 |
12 |
|
D |
38 |
15 |
21207 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
47 |
16 |
21717 |
358.8 |
-1.5 |
0.593 |
6 |
1 |
0 |
0.011 |
8 |
13 |
|
A |
21 |
8 |
21717 |
◊ |
B |
x-y+1,x,z-1/6 |
6_654 |
24 |
7 |
21504 |
241.1 |
-2.5 |
0.328 |
4 |
0 |
0 |
0.000 |
9 |
14 |
|
B |
20 |
7 |
21504 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
23 |
6 |
21717 |
191.9 |
0.9 |
0.787 |
5 |
2 |
0 |
0.004 |
10 |
15 |
|
C |
13 |
4 |
21149 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
19 |
6 |
21504 |
135.6 |
-1.8 |
0.361 |
0 |
0 |
0 |
0.010 |
11 |
16 |
|
[GOL]B:517 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
21504 |
116.4 |
0.1 |
0.647 |
3 |
0 |
0 |
0.013 |
12 |
17 |
|
[SO4]A:511 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
21717 |
102.0 |
-15.1 |
0.702 |
5 |
0 |
0 |
0.097 |
13 |
18 |
|
[SO4]D:512 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
21207 |
101.7 |
-14.9 |
0.729 |
6 |
0 |
0 |
0.098 |
14 |
19 |
|
[SO4]B:511 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
21504 |
101.0 |
-14.7 |
0.741 |
6 |
0 |
0 |
0.179 |
15 |
20 |
|
[SO4]B:512 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
21504 |
100.1 |
-12.5 |
0.908 |
3 |
0 |
0 |
0.143 |
16 |
21 |
|
[SO4]C:512 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
21149 |
99.5 |
-14.8 |
0.748 |
6 |
0 |
0 |
0.103 |
17 |
22 |
|
[SO4]A:512 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
21717 |
98.9 |
-12.9 |
0.810 |
1 |
0 |
0 |
0.074 |
18 |
23 |
|
[SO4]D:511 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
21207 |
98.7 |
-13.1 |
0.809 |
2 |
0 |
0 |
0.078 |
19 |
24 |
|
[SO4]C:511 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
21149 |
98.3 |
-13.2 |
0.844 |
3 |
0 |
0 |
0.085 |
20 |
25 |
|
[SO4]A:515 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
21717 |
97.1 |
-9.7 |
0.966 |
3 |
0 |
0 |
0.062 |
21 |
26 |
|
[SO4]B:513 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
21504 |
97.1 |
-9.6 |
0.967 |
3 |
0 |
0 |
0.112 |
22 |
27 |
|
[SO4]C:513 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
21149 |
90.0 |
-13.2 |
0.837 |
3 |
0 |
0 |
0.086 |
23 |
28 |
|
[SO4]D:514 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
21207 |
86.0 |
-13.0 |
0.752 |
5 |
0 |
0 |
0.085 |
24 |
29 |
|
[SO4]A:513 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
21717 |
85.7 |
-12.5 |
0.770 |
3 |
0 |
0 |
0.077 |
25 |
30 |
|
[SO4]B:515 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
21504 |
85.4 |
-11.9 |
0.859 |
3 |
0 |
0 |
0.136 |
26 |
31 |
|
[SO4]D:513 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
21207 |
72.6 |
-9.8 |
0.767 |
3 |
0 |
0 |
0.062 |
27 |
32 |
|
[SO4]B:514 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
21504 |
66.2 |
-9.1 |
0.788 |
2 |
0 |
0 |
0.103 |
28 |
33 |
|
[SO4]B:514 |
5 |
1 |
183 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
12 |
4 |
21504 |
64.6 |
-9.0 |
0.668 |
2 |
0 |
0 |
0.102 |
29 |
34 |
|
[SO4]A:514 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21717 |
64.4 |
-8.0 |
0.897 |
2 |
0 |
0 |
0.049 |
30 |
35 |
|
[ACT]B:516 |
4 |
1 |
183 |
f |
[ACT]B:516 |
-y+1,-x+1,-z+7/6 |
10_666 |
4 |
1 |
183 |
64.0 |
-0.4 |
0.719 |
0 |
0 |
0 |
0.100 |
31 |
36 |
|
[ACT]B:516 |
4 |
1 |
183 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
13 |
3 |
21504 |
59.4 |
-0.3 |
0.670 |
0 |
0 |
0 |
0.003 |
32 |
37 |
|
[ACT]B:516 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
21504 |
58.2 |
-0.2 |
0.666 |
0 |
0 |
0 |
0.003 |
33 |
38 |
|
[SO4]B:511 |
4 |
1 |
185 |
f |
[FAD]B:2001 |
x,y,z |
1_555 |
13 |
1 |
980 |
47.3 |
-5.3 |
0.857 |
0 |
0 |
0 |
0.055 |
34 |
39 |
|
[SO4]C:512 |
4 |
1 |
184 |
f |
[FAD]C:2001 |
x,y,z |
1_555 |
13 |
1 |
985 |
47.2 |
-5.3 |
0.863 |
0 |
0 |
0 |
0.031 |
35 |
40 |
|
[SO4]D:512 |
4 |
1 |
185 |
f |
[FAD]D:2001 |
x,y,z |
1_555 |
13 |
1 |
990 |
47.0 |
-5.3 |
0.864 |
0 |
0 |
0 |
0.029 |
36 |
41 |
|
[SO4]A:511 |
5 |
1 |
185 |
f |
[FAD]A:2001 |
x,y,z |
1_555 |
13 |
1 |
983 |
45.8 |
-5.2 |
0.868 |
0 |
0 |
0 |
0.029 |
37 |
42 |
|
D |
5 |
1 |
21207 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
21149 |
36.9 |
-1.0 |
0.223 |
0 |
0 |
0 |
0.005 |
43 |
|
B |
5 |
1 |
21504 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
21717 |
36.6 |
-1.0 |
0.225 |
0 |
0 |
0 |
0.005 |
Average: |
36.7 |
-1.0 |
0.224 |
0 |
0 |
0 |
0.005 |
38 |
44 |
|
[GOL]B:517 |
1 |
1 |
219 |
f |
[FAD]B:2001 |
x,y,z |
1_555 |
1 |
1 |
980 |
4.0 |
-0.1 |
0.456 |
0 |
0 |
0 |
0.001 |
39 |
45 |
|
[GOL]B:517 |
1 |
1 |
219 |
f |
[SO4]B:513 |
x,y,z |
1_555 |
1 |
1 |
184 |
1.7 |
-0.2 |
0.707 |
0 |
0 |
0 |
0.002 |
|