## |
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 |
206 |
50 |
18372 |
◊ |
B |
x,y,z |
1_555 |
201 |
50 |
17139 |
2036.1 |
-34.8 |
0.003 |
6 |
6 |
0 |
0.882 |
2 |
|
D |
184 |
45 |
17194 |
◊ |
A |
x,y,z |
1_555 |
183 |
46 |
17377 |
1868.0 |
-34.2 |
0.002 |
6 |
8 |
0 |
0.882 |
Average: |
1952.0 |
-34.5 |
0.003 |
6 |
7 |
0 |
0.882 |
2 |
3 |
|
B |
160 |
45 |
17139 |
◊ |
A |
x,y,z |
1_555 |
156 |
45 |
17377 |
1550.3 |
-5.0 |
0.634 |
32 |
16 |
0 |
0.436 |
4 |
|
D |
159 |
44 |
17194 |
◊ |
C |
x,y,z |
1_555 |
158 |
45 |
18372 |
1544.1 |
-4.4 |
0.700 |
32 |
16 |
0 |
0.436 |
Average: |
1547.2 |
-4.7 |
0.667 |
32 |
16 |
0 |
0.436 |
3 |
5 |
|
[FAD]C:501 |
48 |
1 |
991 |
f |
C |
x,y,z |
1_555 |
70 |
27 |
18372 |
556.1 |
-7.1 |
0.362 |
9 |
0 |
0 |
0.514 |
6 |
|
[FAD]D:501 |
46 |
1 |
989 |
f |
D |
x,y,z |
1_555 |
73 |
28 |
17194 |
547.8 |
-6.4 |
0.455 |
10 |
0 |
0 |
0.514 |
7 |
|
[FAD]B:501 |
46 |
1 |
985 |
f |
B |
x,y,z |
1_555 |
67 |
27 |
17139 |
526.7 |
-6.4 |
0.422 |
11 |
0 |
0 |
0.514 |
8 |
|
[FAD]A:501 |
47 |
1 |
992 |
f |
A |
x,y,z |
1_555 |
68 |
27 |
17377 |
526.1 |
-6.6 |
0.405 |
12 |
0 |
0 |
0.514 |
Average: |
539.2 |
-6.6 |
0.411 |
11 |
0 |
0 |
0.514 |
4 |
9 |
|
B |
38 |
13 |
17139 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
43 |
13 |
17194 |
403.6 |
1.1 |
0.826 |
4 |
5 |
0 |
0.000 |
5 |
10 |
|
A |
49 |
15 |
17377 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
35 |
8 |
18372 |
352.9 |
0.2 |
0.690 |
8 |
2 |
0 |
0.000 |
6 |
11 |
|
C |
30 |
9 |
18372 |
◊ |
D |
x-1,y,z |
1_455 |
39 |
10 |
17194 |
339.0 |
0.2 |
0.508 |
4 |
7 |
0 |
0.000 |
7 |
12 |
|
[FAD]C:501 |
30 |
1 |
991 |
◊ |
D |
x,y,z |
1_555 |
44 |
16 |
17194 |
328.1 |
-6.2 |
0.354 |
3 |
0 |
0 |
0.310 |
13 |
|
[FAD]D:501 |
29 |
1 |
989 |
◊ |
C |
x,y,z |
1_555 |
42 |
16 |
18372 |
323.9 |
-6.2 |
0.319 |
3 |
0 |
0 |
0.310 |
14 |
|
[FAD]B:501 |
30 |
1 |
985 |
◊ |
A |
x,y,z |
1_555 |
43 |
16 |
17377 |
318.0 |
-5.9 |
0.345 |
3 |
0 |
0 |
0.310 |
15 |
|
[FAD]A:501 |
29 |
1 |
992 |
◊ |
B |
x,y,z |
1_555 |
43 |
16 |
17139 |
315.6 |
-6.0 |
0.343 |
3 |
0 |
0 |
0.310 |
Average: |
321.4 |
-6.1 |
0.340 |
3 |
0 |
0 |
0.310 |
8 |
16 |
|
A |
21 |
9 |
17377 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
8 |
17139 |
233.0 |
1.0 |
0.687 |
5 |
5 |
0 |
0.000 |
9 |
17 |
|
B |
21 |
10 |
17139 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
8 |
18372 |
218.3 |
-1.7 |
0.461 |
3 |
0 |
0 |
0.000 |
10 |
18 |
|
D |
20 |
4 |
17194 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
17139 |
209.7 |
-2.6 |
0.276 |
4 |
0 |
0 |
0.050 |
19 |
|
C |
19 |
4 |
18372 |
◊ |
A |
x,y,z |
1_555 |
20 |
4 |
17377 |
207.9 |
-2.6 |
0.275 |
4 |
0 |
0 |
0.050 |
Average: |
208.8 |
-2.6 |
0.275 |
4 |
0 |
0 |
0.050 |
11 |
20 |
|
C |
22 |
8 |
18372 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
17 |
6 |
17377 |
183.6 |
2.5 |
0.853 |
2 |
3 |
0 |
0.000 |
12 |
21 |
|
A |
19 |
9 |
17377 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
22 |
8 |
17139 |
172.8 |
0.0 |
0.682 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[EDO]C:504 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
18372 |
113.3 |
4.0 |
0.683 |
3 |
0 |
0 |
0.000 |
14 |
23 |
|
[EDO]C:502 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
18372 |
107.5 |
3.7 |
0.653 |
4 |
0 |
0 |
0.000 |
15 |
24 |
|
[EDO]D:502 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
17194 |
106.3 |
3.6 |
0.464 |
5 |
0 |
0 |
0.000 |
16 |
25 |
|
[EDO]B:502 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
17139 |
105.3 |
3.6 |
0.463 |
3 |
0 |
0 |
0.000 |
17 |
26 |
|
[EDO]A:502 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17377 |
105.3 |
3.7 |
0.456 |
5 |
0 |
0 |
0.000 |
18 |
27 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
17139 |
96.5 |
2.2 |
0.431 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
17377 |
96.3 |
2.3 |
0.432 |
1 |
0 |
0 |
0.000 |
Average: |
96.4 |
2.2 |
0.432 |
1 |
0 |
0 |
0.000 |
19 |
29 |
|
[EDO]C:503 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
18372 |
89.7 |
2.9 |
0.299 |
3 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
17377 |
89.5 |
2.9 |
0.297 |
3 |
0 |
0 |
0.000 |
Average: |
89.6 |
2.9 |
0.298 |
3 |
0 |
0 |
0.000 |
20 |
31 |
|
[EDO]D:503 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
17194 |
88.7 |
2.8 |
0.302 |
4 |
0 |
0 |
0.000 |
21 |
32 |
|
[EDO]B:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
17139 |
88.2 |
3.0 |
0.518 |
2 |
0 |
0 |
0.000 |
22 |
33 |
|
[EDO]D:503 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
17377 |
56.7 |
1.8 |
0.307 |
1 |
0 |
0 |
0.000 |
23 |
34 |
|
[EDO]A:504 |
4 |
1 |
183 |
f |
[FAD]A:501 |
x,y,z |
1_555 |
13 |
1 |
992 |
56.5 |
0.9 |
0.272 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
[FAD]B:501 |
x,y,z |
1_555 |
13 |
1 |
985 |
56.2 |
1.0 |
0.769 |
1 |
0 |
0 |
0.000 |
Average: |
56.4 |
0.9 |
0.521 |
1 |
0 |
0 |
0.000 |
24 |
36 |
|
[EDO]B:503 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
18372 |
55.7 |
1.7 |
0.303 |
1 |
0 |
0 |
0.000 |
25 |
37 |
|
[EDO]A:503 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
17194 |
54.2 |
1.7 |
0.309 |
1 |
0 |
0 |
0.000 |
38 |
|
[EDO]C:503 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
17139 |
53.7 |
1.7 |
0.888 |
1 |
0 |
0 |
0.000 |
Average: |
54.0 |
1.7 |
0.598 |
1 |
0 |
0 |
0.000 |
26 |
39 |
|
[FAD]D:501 |
3 |
1 |
989 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17377 |
33.6 |
0.9 |
0.796 |
0 |
0 |
0 |
0.000 |
40 |
|
[FAD]C:501 |
3 |
1 |
991 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17139 |
33.1 |
0.9 |
0.801 |
0 |
0 |
0 |
0.000 |
41 |
|
[FAD]B:501 |
3 |
1 |
985 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18372 |
32.9 |
0.9 |
0.805 |
0 |
0 |
0 |
0.000 |
42 |
|
[FAD]A:501 |
3 |
1 |
992 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17194 |
31.8 |
0.8 |
0.798 |
0 |
0 |
0 |
0.000 |
Average: |
32.8 |
0.9 |
0.800 |
0 |
0 |
0 |
0.000 |
|