| ## |
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 |
79 |
26 |
17452 |
◊ |
A |
x,y,z |
1_555 |
79 |
26 |
17338 |
830.0 |
-3.8 |
0.328 |
4 |
0 |
0 |
0.069 |
2 |
|
D |
78 |
26 |
17365 |
◊ |
C |
x-1,y-1,z |
1_445 |
79 |
26 |
17555 |
827.4 |
-3.6 |
0.353 |
4 |
0 |
0 |
0.069 |
| Average: |
828.7 |
-3.7 |
0.340 |
4 |
0 |
0 |
0.069 |
| 2 |
3 |
|
[FAD]B:2004 |
52 |
1 |
997 |
f |
B |
x,y,z |
1_555 |
92 |
37 |
17452 |
689.2 |
-3.7 |
0.582 |
10 |
0 |
0 |
0.247 |
4 |
|
[FAD]A:2004 |
53 |
1 |
1001 |
f |
A |
x,y,z |
1_555 |
92 |
39 |
17338 |
687.7 |
-5.1 |
0.566 |
12 |
0 |
0 |
0.247 |
5 |
|
[FAD]D:2004 |
53 |
1 |
999 |
f |
D |
x,y,z |
1_555 |
89 |
37 |
17365 |
684.8 |
-4.4 |
0.586 |
13 |
0 |
0 |
0.247 |
6 |
|
[FAD]C:2004 |
53 |
1 |
995 |
f |
C |
x,y,z |
1_555 |
91 |
37 |
17555 |
678.2 |
-4.0 |
0.588 |
11 |
0 |
0 |
0.247 |
| Average: |
685.0 |
-4.3 |
0.580 |
12 |
0 |
0 |
0.247 |
| 3 |
7 |
|
C |
64 |
18 |
17555 |
◊ |
B |
x,y,z |
1_555 |
41 |
16 |
17452 |
433.9 |
-6.0 |
0.123 |
0 |
0 |
0 |
0.000 |
| 4 |
8 |
|
[MIY]B:2001 |
32 |
1 |
607 |
f |
B |
x,y,z |
1_555 |
67 |
24 |
17452 |
407.3 |
-0.4 |
0.495 |
6 |
0 |
0 |
0.060 |
9 |
|
[MIY]D:2001 |
32 |
1 |
617 |
f |
D |
x,y,z |
1_555 |
66 |
23 |
17365 |
407.2 |
0.2 |
0.542 |
5 |
0 |
0 |
0.060 |
10 |
|
[MIY]C:2001 |
32 |
1 |
613 |
f |
C |
x,y,z |
1_555 |
66 |
24 |
17555 |
406.3 |
0.0 |
0.529 |
6 |
0 |
0 |
0.060 |
11 |
|
[MIY]A:2001 |
32 |
1 |
608 |
f |
A |
x,y,z |
1_555 |
60 |
22 |
17338 |
403.0 |
-0.0 |
0.523 |
5 |
0 |
0 |
0.060 |
| Average: |
405.9 |
-0.1 |
0.523 |
6 |
0 |
0 |
0.060 |
| 5 |
12 |
|
B |
42 |
12 |
17452 |
◊ |
D |
x,y,z-1 |
1_554 |
39 |
11 |
17365 |
362.5 |
-3.7 |
0.222 |
2 |
0 |
0 |
0.000 |
13 |
|
A |
38 |
11 |
17338 |
◊ |
C |
x,y-1,z-1 |
1_544 |
42 |
12 |
17555 |
358.1 |
-3.7 |
0.226 |
2 |
0 |
0 |
0.000 |
| Average: |
360.3 |
-3.7 |
0.224 |
2 |
0 |
0 |
0.000 |
| 6 |
14 |
|
A |
31 |
11 |
17338 |
◊ |
C |
x,y-1,z |
1_545 |
21 |
7 |
17555 |
241.5 |
-1.0 |
0.451 |
1 |
0 |
0 |
0.000 |
15 |
|
D |
29 |
11 |
17365 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
17452 |
235.2 |
-1.0 |
0.440 |
1 |
0 |
0 |
0.000 |
| Average: |
238.3 |
-1.0 |
0.445 |
1 |
0 |
0 |
0.000 |
| 7 |
16 |
|
D |
24 |
7 |
17365 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
17338 |
195.0 |
0.5 |
0.577 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
25 |
8 |
17365 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
7 |
17338 |
193.9 |
0.5 |
0.586 |
0 |
0 |
0 |
0.000 |
| Average: |
194.5 |
0.5 |
0.581 |
0 |
0 |
0 |
0.000 |
| 8 |
18 |
|
B |
17 |
4 |
17452 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
6 |
17555 |
118.2 |
-1.2 |
0.338 |
0 |
0 |
0 |
0.000 |
| 9 |
19 |
|
D |
12 |
4 |
17365 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
17452 |
87.5 |
0.2 |
0.563 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
13 |
5 |
17338 |
◊ |
C |
x-1,y-1,z |
1_445 |
8 |
2 |
17555 |
84.2 |
0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
| Average: |
85.9 |
0.2 |
0.568 |
0 |
0 |
0 |
0.000 |
| 10 |
21 |
|
[FAD]D:2004 |
9 |
1 |
999 |
f |
[MIY]D:2001 |
x,y,z |
1_555 |
10 |
1 |
617 |
78.9 |
0.7 |
0.657 |
1 |
0 |
0 |
0.000 |
22 |
|
[FAD]A:2004 |
9 |
1 |
1001 |
f |
[MIY]A:2001 |
x,y,z |
1_555 |
9 |
1 |
608 |
77.9 |
1.0 |
0.699 |
2 |
0 |
0 |
0.000 |
| Average: |
78.4 |
0.8 |
0.678 |
2 |
0 |
0 |
0.000 |
| 11 |
23 |
|
[SO4]B:2002 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
17452 |
75.7 |
-9.8 |
0.865 |
3 |
0 |
0 |
0.036 |
| 12 |
24 |
|
[FAD]B:2004 |
9 |
1 |
997 |
f |
[MIY]B:2001 |
x,y,z |
1_555 |
7 |
1 |
607 |
75.7 |
1.2 |
0.730 |
1 |
0 |
0 |
0.000 |
25 |
|
[FAD]C:2004 |
7 |
1 |
995 |
f |
[MIY]C:2001 |
x,y,z |
1_555 |
9 |
1 |
613 |
75.3 |
1.1 |
0.678 |
1 |
0 |
0 |
0.000 |
| Average: |
75.5 |
1.1 |
0.704 |
1 |
0 |
0 |
0.000 |
| 13 |
26 |
|
[SO4]C:2002 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
17555 |
75.1 |
-9.2 |
0.878 |
3 |
0 |
0 |
0.137 |
| 14 |
27 |
|
[SO4]A:2002 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17338 |
73.9 |
-9.7 |
0.848 |
4 |
0 |
0 |
0.034 |
| 15 |
28 |
|
[SO4]C:2003 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
17555 |
71.8 |
-9.4 |
0.905 |
2 |
0 |
0 |
0.134 |
| 16 |
29 |
|
A |
8 |
3 |
17338 |
◊ |
B |
x,y-1,z |
1_545 |
12 |
4 |
17452 |
69.5 |
-1.9 |
0.144 |
0 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[SO4]B:2003 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17452 |
67.2 |
-8.4 |
0.927 |
2 |
0 |
0 |
0.030 |
| 18 |
31 |
|
[SO4]A:2003 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17338 |
66.5 |
-8.0 |
0.904 |
4 |
0 |
0 |
0.029 |
| 19 |
32 |
|
[SO4]D:2002 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
17365 |
66.2 |
-8.5 |
0.841 |
2 |
0 |
0 |
0.122 |
| 20 |
33 |
|
[SO4]D:2003 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
17365 |
64.7 |
-7.6 |
0.926 |
4 |
0 |
0 |
0.121 |
| 21 |
34 |
|
D |
8 |
4 |
17365 |
x |
D |
x-1,y,z |
1_455 |
7 |
4 |
17365 |
39.0 |
0.8 |
0.757 |
0 |
0 |
0 |
0.000 |
35 |
|
C |
6 |
3 |
17555 |
x |
C |
x-1,y,z |
1_455 |
6 |
3 |
17555 |
34.5 |
0.5 |
0.690 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
5 |
3 |
17338 |
x |
A |
x-1,y,z |
1_455 |
5 |
3 |
17338 |
28.5 |
0.5 |
0.746 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
4 |
2 |
17452 |
x |
B |
x-1,y,z |
1_455 |
3 |
2 |
17452 |
18.4 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| Average: |
30.1 |
0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
| 22 |
38 |
|
D |
3 |
1 |
17365 |
◊ |
[SO4]C:2002 |
x-1,y-1,z |
1_445 |
3 |
1 |
186 |
31.2 |
-2.7 |
0.964 |
3 |
0 |
0 |
0.052 |
| 23 |
39 |
|
[SO4]B:2002 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17338 |
29.0 |
-2.4 |
0.965 |
0 |
0 |
0 |
0.003 |
| 24 |
40 |
|
[SO4]A:2002 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17452 |
25.1 |
-2.0 |
0.958 |
0 |
0 |
0 |
0.003 |
| 25 |
41 |
|
[SO4]D:2002 |
4 |
1 |
185 |
◊ |
C |
x-1,y-1,z |
1_445 |
3 |
1 |
17555 |
22.3 |
-1.7 |
0.954 |
0 |
0 |
0 |
0.022 |
| 26 |
42 |
|
[SO4]D:2002 |
3 |
1 |
185 |
◊ |
[SO4]C:2002 |
x-1,y-1,z |
1_445 |
1 |
1 |
186 |
15.3 |
-3.6 |
0.891 |
0 |
0 |
0 |
0.047 |
| 27 |
43 |
|
[SO4]B:2002 |
3 |
1 |
186 |
◊ |
[SO4]A:2002 |
x,y,z |
1_555 |
3 |
1 |
185 |
9.7 |
-2.2 |
0.992 |
0 |
0 |
0 |
0.003 |
| 28 |
44 |
|
D |
1 |
1 |
17365 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
17555 |
2.8 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
|