| ## |
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 |
|
H |
287 |
77 |
14028 |
◊ |
F |
x,y,z |
1_555 |
283 |
75 |
14014 |
2678.0 |
-35.5 |
0.028 |
26 |
6 |
0 |
0.660 |
2 |
|
D |
276 |
72 |
13899 |
◊ |
C |
x,y,z |
1_555 |
280 |
72 |
14060 |
2666.7 |
-37.8 |
0.017 |
27 |
7 |
0 |
0.660 |
3 |
|
B |
287 |
74 |
13977 |
◊ |
A |
x,y,z |
1_555 |
279 |
75 |
13929 |
2648.5 |
-36.0 |
0.021 |
25 |
4 |
0 |
0.660 |
4 |
|
G |
284 |
76 |
13975 |
◊ |
E |
x,y,z |
1_555 |
281 |
73 |
13947 |
2635.6 |
-33.4 |
0.048 |
30 |
6 |
0 |
0.660 |
| Average: |
2657.2 |
-35.7 |
0.029 |
27 |
6 |
0 |
0.660 |
| 2 |
5 |
|
[FAD]G:601 |
50 |
1 |
996 |
f |
G |
x,y,z |
1_555 |
69 |
22 |
13975 |
520.2 |
-0.1 |
0.754 |
16 |
0 |
0 |
0.199 |
6 |
|
[FAD]H:601 |
50 |
1 |
992 |
f |
H |
x,y,z |
1_555 |
70 |
23 |
14028 |
516.4 |
-0.9 |
0.733 |
13 |
0 |
0 |
0.199 |
7 |
|
[FAD]E:601 |
52 |
1 |
986 |
f |
E |
x,y,z |
1_555 |
71 |
23 |
13947 |
511.4 |
0.1 |
0.790 |
16 |
0 |
0 |
0.199 |
8 |
|
[FAD]B:601 |
50 |
1 |
986 |
f |
B |
x,y,z |
1_555 |
67 |
22 |
13977 |
511.1 |
-0.7 |
0.728 |
16 |
0 |
0 |
0.199 |
9 |
|
[FAD]D:601 |
49 |
1 |
993 |
f |
D |
x,y,z |
1_555 |
71 |
23 |
13899 |
510.8 |
-0.3 |
0.776 |
15 |
0 |
0 |
0.199 |
10 |
|
[FAD]F:601 |
51 |
1 |
985 |
f |
F |
x,y,z |
1_555 |
70 |
23 |
14014 |
509.5 |
-0.8 |
0.739 |
15 |
0 |
0 |
0.199 |
11 |
|
[FAD]C:601 |
50 |
1 |
987 |
f |
C |
x,y,z |
1_555 |
69 |
23 |
14060 |
508.2 |
0.3 |
0.780 |
17 |
0 |
0 |
0.199 |
12 |
|
[FAD]A:601 |
52 |
1 |
994 |
f |
A |
x,y,z |
1_555 |
70 |
23 |
13929 |
508.1 |
-0.2 |
0.774 |
16 |
0 |
0 |
0.199 |
| Average: |
511.9 |
-0.3 |
0.760 |
16 |
0 |
0 |
0.199 |
| 3 |
13 |
|
D |
45 |
17 |
13899 |
◊ |
A |
x,y,z |
1_555 |
50 |
13 |
13929 |
425.5 |
-2.8 |
0.473 |
3 |
0 |
0 |
0.000 |
| 4 |
14 |
|
E |
39 |
13 |
13947 |
◊ |
C |
x,y,z |
1_555 |
40 |
13 |
14060 |
348.3 |
-4.5 |
0.324 |
0 |
0 |
0 |
0.000 |
15 |
|
F |
39 |
13 |
14014 |
◊ |
B |
x-1,y,z-1 |
1_454 |
40 |
13 |
13977 |
331.7 |
-4.1 |
0.325 |
1 |
0 |
0 |
0.000 |
| Average: |
340.0 |
-4.3 |
0.324 |
1 |
0 |
0 |
0.000 |
| 5 |
16 |
|
H |
37 |
14 |
14028 |
◊ |
A |
x,y,z |
1_555 |
37 |
15 |
13929 |
343.3 |
-5.6 |
0.196 |
0 |
0 |
0 |
0.000 |
17 |
|
G |
42 |
15 |
13975 |
◊ |
D |
x,y,z-1 |
1_554 |
38 |
15 |
13899 |
342.1 |
-5.3 |
0.241 |
0 |
0 |
0 |
0.000 |
| Average: |
342.7 |
-5.5 |
0.218 |
0 |
0 |
0 |
0.000 |
| 6 |
18 |
|
C |
37 |
12 |
14060 |
◊ |
B |
x,y,z |
1_555 |
44 |
18 |
13977 |
340.9 |
2.3 |
0.811 |
7 |
0 |
0 |
0.000 |
| 7 |
19 |
|
G |
35 |
12 |
13975 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
38 |
12 |
14028 |
274.6 |
-3.6 |
0.363 |
0 |
0 |
0 |
0.000 |
| 8 |
20 |
|
C |
28 |
5 |
14060 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
7 |
13929 |
268.2 |
-0.0 |
0.704 |
4 |
0 |
0 |
0.000 |
21 |
|
D |
31 |
6 |
13899 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
6 |
13977 |
222.3 |
-1.5 |
0.538 |
3 |
0 |
0 |
0.000 |
| Average: |
245.2 |
-0.8 |
0.621 |
4 |
0 |
0 |
0.000 |
| 9 |
22 |
|
H |
35 |
15 |
14028 |
◊ |
A |
x-1,y,z-1 |
1_454 |
30 |
10 |
13929 |
240.2 |
-0.2 |
0.658 |
1 |
0 |
0 |
0.000 |
23 |
|
G |
30 |
9 |
13975 |
◊ |
D |
x,y,z |
1_555 |
32 |
11 |
13899 |
189.7 |
-0.7 |
0.641 |
0 |
0 |
0 |
0.000 |
| Average: |
214.9 |
-0.4 |
0.649 |
1 |
0 |
0 |
0.000 |
| 10 |
24 |
|
F |
30 |
6 |
14014 |
◊ |
B |
x,y,z |
1_555 |
25 |
5 |
13977 |
233.3 |
-0.6 |
0.554 |
0 |
0 |
0 |
0.000 |
25 |
|
E |
26 |
6 |
13947 |
◊ |
C |
x,y,z-1 |
1_554 |
25 |
5 |
14060 |
218.6 |
-0.6 |
0.610 |
0 |
0 |
0 |
0.000 |
| Average: |
226.0 |
-0.6 |
0.582 |
0 |
0 |
0 |
0.000 |
| 11 |
26 |
|
[CC2]E:547 |
24 |
1 |
524 |
f |
G |
x,y,z |
1_555 |
26 |
7 |
13975 |
209.4 |
-1.6 |
0.190 |
1 |
0 |
0 |
0.031 |
27 |
|
[CC2]F:547 |
24 |
1 |
517 |
f |
H |
x,y,z |
1_555 |
30 |
7 |
14028 |
208.6 |
-1.8 |
0.191 |
1 |
0 |
0 |
0.031 |
28 |
|
[CC2]C:547 |
23 |
1 |
520 |
f |
D |
x,y,z |
1_555 |
29 |
8 |
13899 |
195.4 |
-2.1 |
0.173 |
0 |
0 |
0 |
0.031 |
| Average: |
204.5 |
-1.9 |
0.185 |
1 |
0 |
0 |
0.031 |
| 12 |
29 |
|
[CC2]B:547 |
23 |
1 |
522 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
13929 |
207.4 |
-2.4 |
0.147 |
0 |
0 |
0 |
0.059 |
30 |
|
[CC2]A:547 |
23 |
1 |
522 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
13977 |
181.4 |
-1.7 |
0.226 |
1 |
0 |
0 |
0.059 |
31 |
|
[CC2]H:547 |
22 |
1 |
523 |
f |
F |
x,y,z |
1_555 |
30 |
7 |
14014 |
178.6 |
-1.5 |
0.233 |
1 |
0 |
0 |
0.059 |
32 |
|
[CC2]D:547 |
23 |
1 |
526 |
f |
C |
x,y,z |
1_555 |
30 |
8 |
14060 |
178.4 |
-1.8 |
0.221 |
1 |
0 |
0 |
0.059 |
33 |
|
[CC2]G:547 |
23 |
1 |
523 |
f |
E |
x,y,z |
1_555 |
29 |
7 |
13947 |
178.4 |
-1.4 |
0.244 |
1 |
0 |
0 |
0.059 |
| Average: |
184.9 |
-1.7 |
0.214 |
1 |
0 |
0 |
0.059 |
| 13 |
34 |
|
[CC2]E:547 |
23 |
1 |
524 |
◊ |
E |
x,y,z |
1_555 |
27 |
8 |
13947 |
191.8 |
-0.6 |
0.325 |
0 |
0 |
0 |
0.010 |
35 |
|
[CC2]C:547 |
21 |
1 |
520 |
◊ |
C |
x,y,z |
1_555 |
28 |
8 |
14060 |
186.2 |
-0.8 |
0.313 |
0 |
0 |
0 |
0.010 |
| Average: |
189.0 |
-0.7 |
0.319 |
0 |
0 |
0 |
0.010 |
| 14 |
36 |
|
[CC2]H:547 |
24 |
1 |
523 |
◊ |
H |
x,y,z |
1_555 |
34 |
11 |
14028 |
189.5 |
-0.6 |
0.337 |
0 |
0 |
0 |
0.028 |
37 |
|
[CC2]F:547 |
22 |
1 |
517 |
◊ |
F |
x,y,z |
1_555 |
27 |
8 |
14014 |
188.1 |
-1.5 |
0.221 |
0 |
0 |
0 |
0.028 |
38 |
|
[CC2]G:547 |
23 |
1 |
523 |
◊ |
G |
x,y,z |
1_555 |
32 |
10 |
13975 |
186.6 |
-0.8 |
0.320 |
0 |
0 |
0 |
0.028 |
39 |
|
[CC2]B:547 |
22 |
1 |
522 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
13977 |
186.0 |
-0.7 |
0.317 |
0 |
0 |
0 |
0.028 |
40 |
|
[CC2]A:547 |
24 |
1 |
522 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
13929 |
185.3 |
-0.7 |
0.351 |
0 |
0 |
0 |
0.028 |
41 |
|
[CC2]D:547 |
23 |
1 |
526 |
◊ |
D |
x,y,z |
1_555 |
33 |
10 |
13899 |
185.3 |
-0.7 |
0.354 |
0 |
0 |
0 |
0.028 |
| Average: |
186.8 |
-0.8 |
0.317 |
0 |
0 |
0 |
0.028 |
| 15 |
42 |
|
E |
22 |
6 |
13947 |
◊ |
G |
x-1,y,z |
1_455 |
18 |
6 |
13975 |
175.3 |
0.9 |
0.779 |
1 |
0 |
0 |
0.000 |
43 |
|
F |
19 |
5 |
14014 |
◊ |
H |
x-1,y,z |
1_455 |
15 |
6 |
14028 |
145.2 |
1.7 |
0.842 |
2 |
0 |
0 |
0.000 |
| Average: |
160.3 |
1.3 |
0.811 |
2 |
0 |
0 |
0.000 |
| 16 |
44 |
|
[FAD]A:601 |
15 |
1 |
994 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
13977 |
163.6 |
-5.2 |
0.283 |
2 |
0 |
0 |
0.141 |
45 |
|
[FAD]C:601 |
16 |
1 |
987 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
13899 |
162.2 |
-4.6 |
0.336 |
2 |
0 |
0 |
0.141 |
46 |
|
[FAD]D:601 |
14 |
1 |
993 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
14060 |
155.9 |
-4.8 |
0.296 |
0 |
0 |
0 |
0.141 |
47 |
|
[FAD]F:601 |
16 |
1 |
985 |
◊ |
H |
x,y,z |
1_555 |
20 |
7 |
14028 |
150.2 |
-4.0 |
0.393 |
1 |
0 |
0 |
0.141 |
48 |
|
[FAD]H:601 |
14 |
1 |
992 |
◊ |
F |
x,y,z |
1_555 |
19 |
7 |
14014 |
142.5 |
-3.7 |
0.365 |
0 |
0 |
0 |
0.141 |
49 |
|
[FAD]E:601 |
15 |
1 |
986 |
◊ |
G |
x,y,z |
1_555 |
18 |
7 |
13975 |
142.3 |
-3.9 |
0.363 |
1 |
0 |
0 |
0.141 |
50 |
|
[FAD]B:601 |
15 |
1 |
986 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
13929 |
141.2 |
-4.2 |
0.355 |
1 |
0 |
0 |
0.141 |
51 |
|
[FAD]G:601 |
14 |
1 |
996 |
◊ |
E |
x,y,z |
1_555 |
17 |
6 |
13947 |
135.1 |
-4.1 |
0.322 |
0 |
0 |
0 |
0.141 |
| Average: |
149.1 |
-4.3 |
0.339 |
1 |
0 |
0 |
0.141 |
| 17 |
52 |
|
[CC2]F:547 |
15 |
1 |
517 |
◊ |
[FAD]F:601 |
x,y,z |
1_555 |
19 |
1 |
985 |
92.5 |
1.8 |
0.574 |
0 |
0 |
0 |
0.000 |
53 |
|
[CC2]E:547 |
15 |
1 |
524 |
◊ |
[FAD]E:601 |
x,y,z |
1_555 |
19 |
1 |
986 |
89.3 |
1.7 |
0.571 |
0 |
0 |
0 |
0.000 |
54 |
|
[CC2]C:547 |
15 |
1 |
520 |
◊ |
[FAD]C:601 |
x,y,z |
1_555 |
19 |
1 |
987 |
89.2 |
1.8 |
0.576 |
0 |
0 |
0 |
0.000 |
| Average: |
90.3 |
1.8 |
0.574 |
0 |
0 |
0 |
0.000 |
| 18 |
55 |
|
[CC2]H:547 |
15 |
1 |
523 |
◊ |
[FAD]H:601 |
x,y,z |
1_555 |
19 |
1 |
992 |
87.6 |
1.7 |
0.581 |
0 |
0 |
0 |
0.000 |
56 |
|
[CC2]B:547 |
15 |
1 |
522 |
◊ |
[FAD]B:601 |
x,y,z |
1_555 |
17 |
1 |
986 |
87.4 |
1.8 |
0.593 |
0 |
0 |
0 |
0.000 |
57 |
|
[CC2]G:547 |
15 |
1 |
523 |
◊ |
[FAD]G:601 |
x,y,z |
1_555 |
19 |
1 |
996 |
87.2 |
1.7 |
0.584 |
0 |
0 |
0 |
0.000 |
58 |
|
[CC2]D:547 |
15 |
1 |
526 |
◊ |
[FAD]D:601 |
x,y,z |
1_555 |
19 |
1 |
993 |
87.0 |
1.7 |
0.604 |
0 |
0 |
0 |
0.000 |
59 |
|
[CC2]A:547 |
15 |
1 |
522 |
◊ |
[FAD]A:601 |
x,y,z |
1_555 |
19 |
1 |
994 |
86.9 |
1.8 |
0.616 |
0 |
0 |
0 |
0.000 |
| Average: |
87.2 |
1.7 |
0.596 |
0 |
0 |
0 |
0.000 |
| 19 |
60 |
|
E |
7 |
4 |
13947 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
4 |
3 |
14014 |
80.3 |
1.3 |
0.828 |
0 |
0 |
0 |
0.000 |
| 20 |
61 |
|
E |
10 |
2 |
13947 |
◊ |
[CC2]D:547 |
x,y,z-1 |
1_554 |
12 |
1 |
526 |
75.3 |
-0.0 |
0.435 |
0 |
0 |
0 |
0.000 |
62 |
|
[CC2]H:547 |
12 |
1 |
523 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
13977 |
74.6 |
-0.1 |
0.396 |
0 |
0 |
0 |
0.000 |
63 |
|
[CC2]G:547 |
12 |
1 |
523 |
◊ |
C |
x,y,z-1 |
1_554 |
9 |
2 |
14060 |
73.4 |
0.0 |
0.420 |
0 |
0 |
0 |
0.000 |
64 |
|
[CC2]A:547 |
12 |
1 |
522 |
◊ |
F |
x,y,z |
1_555 |
10 |
2 |
14014 |
73.1 |
-0.1 |
0.424 |
0 |
0 |
0 |
0.000 |
| Average: |
74.1 |
-0.1 |
0.419 |
0 |
0 |
0 |
0.000 |
| 21 |
65 |
|
H |
6 |
1 |
14028 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13977 |
72.1 |
-0.2 |
0.558 |
1 |
0 |
0 |
0.000 |
66 |
|
G |
6 |
1 |
13975 |
◊ |
C |
x,y,z-1 |
1_554 |
8 |
3 |
14060 |
71.3 |
-0.2 |
0.562 |
1 |
0 |
0 |
0.000 |
67 |
|
F |
9 |
3 |
14014 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13929 |
71.3 |
-0.2 |
0.574 |
1 |
0 |
0 |
0.000 |
68 |
|
E |
9 |
3 |
13947 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
1 |
13899 |
70.2 |
-0.1 |
0.602 |
1 |
0 |
0 |
0.000 |
| Average: |
71.2 |
-0.2 |
0.574 |
1 |
0 |
0 |
0.000 |
| 22 |
69 |
|
E |
7 |
2 |
13947 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
14028 |
64.6 |
2.1 |
0.914 |
0 |
0 |
0 |
0.000 |
70 |
|
G |
5 |
2 |
13975 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
7 |
2 |
14014 |
42.6 |
1.3 |
0.846 |
0 |
0 |
0 |
0.000 |
| Average: |
53.6 |
1.7 |
0.880 |
0 |
0 |
0 |
0.000 |
| 23 |
71 |
|
F |
8 |
2 |
14014 |
◊ |
A |
x-1,y,z-1 |
1_454 |
9 |
1 |
13929 |
64.6 |
-0.8 |
0.410 |
0 |
0 |
0 |
0.000 |
72 |
|
E |
8 |
1 |
13947 |
◊ |
D |
x,y,z |
1_555 |
11 |
2 |
13899 |
58.2 |
-1.1 |
0.411 |
0 |
0 |
0 |
0.000 |
73 |
|
G |
9 |
2 |
13975 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14060 |
44.8 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
74 |
|
H |
7 |
1 |
14028 |
◊ |
B |
x-1,y,z-1 |
1_454 |
3 |
1 |
13977 |
33.4 |
-0.2 |
0.582 |
0 |
0 |
0 |
0.000 |
| Average: |
50.2 |
-0.5 |
0.507 |
0 |
0 |
0 |
0.000 |
| 24 |
75 |
|
D |
14 |
6 |
13899 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
13977 |
63.1 |
1.0 |
0.790 |
0 |
0 |
0 |
0.000 |
| 25 |
76 |
|
[CC2]C:547 |
3 |
1 |
520 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
13975 |
39.3 |
-0.4 |
0.365 |
0 |
0 |
0 |
0.000 |
77 |
|
[CC2]E:547 |
2 |
1 |
524 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
13899 |
28.0 |
0.0 |
0.514 |
0 |
0 |
0 |
0.000 |
78 |
|
[CC2]F:547 |
2 |
1 |
517 |
◊ |
A |
x-1,y,z-1 |
1_454 |
4 |
2 |
13929 |
18.9 |
0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
| Average: |
28.7 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
| 26 |
79 |
|
H |
4 |
1 |
14028 |
◊ |
[CC2]B:547 |
x-1,y,z-1 |
1_454 |
2 |
1 |
522 |
18.9 |
-0.5 |
0.371 |
0 |
0 |
0 |
0.000 |
| 27 |
80 |
|
E |
1 |
1 |
13947 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
14014 |
18.1 |
-0.6 |
0.134 |
0 |
0 |
0 |
0.000 |
| 28 |
81 |
|
D |
1 |
1 |
13899 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
13929 |
14.3 |
1.1 |
0.965 |
0 |
0 |
0 |
0.000 |
82 |
|
C |
2 |
1 |
14060 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
13977 |
5.4 |
0.2 |
0.800 |
0 |
0 |
0 |
0.000 |
| Average: |
9.9 |
0.6 |
0.883 |
0 |
0 |
0 |
0.000 |
| 29 |
83 |
|
F |
1 |
1 |
14014 |
◊ |
[CC2]B:547 |
x-1,y,z-1 |
1_454 |
1 |
1 |
522 |
0.1 |
-0.0 |
0.515 |
0 |
0 |
0 |
0.000 |
|