| ## |
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 |
62 |
20 |
13763 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
74 |
20 |
14121 |
593.2 |
-2.2 |
0.463 |
8 |
9 |
0 |
0.000 |
2 |
|
B |
57 |
15 |
13763 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
53 |
15 |
14055 |
490.7 |
-0.1 |
0.614 |
5 |
4 |
0 |
0.000 |
| Average: |
541.9 |
-1.2 |
0.539 |
7 |
7 |
0 |
0.000 |
| 2 |
3 |
|
A |
59 |
19 |
13666 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
67 |
19 |
14055 |
560.1 |
2.7 |
0.806 |
8 |
7 |
0 |
0.000 |
| 3 |
4 |
|
A |
60 |
21 |
13666 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
55 |
20 |
14055 |
486.6 |
2.9 |
0.816 |
5 |
1 |
0 |
0.000 |
5 |
|
B |
50 |
19 |
13763 |
◊ |
C |
x,y-1,z |
1_545 |
62 |
19 |
14121 |
451.8 |
1.0 |
0.692 |
6 |
2 |
0 |
0.000 |
| Average: |
469.2 |
1.9 |
0.754 |
6 |
2 |
0 |
0.000 |
| 4 |
6 |
|
B |
58 |
17 |
13763 |
◊ |
C |
x-1,y-1,z |
1_445 |
54 |
18 |
14121 |
458.8 |
2.8 |
0.832 |
8 |
1 |
0 |
0.000 |
7 |
|
A |
44 |
17 |
13666 |
◊ |
D |
x,y-1,z-1 |
1_544 |
43 |
11 |
14055 |
364.1 |
0.8 |
0.683 |
3 |
1 |
0 |
0.000 |
| Average: |
411.5 |
1.8 |
0.757 |
6 |
1 |
0 |
0.000 |
| 5 |
8 |
|
A |
47 |
16 |
13666 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
13 |
14121 |
418.4 |
-0.3 |
0.569 |
5 |
4 |
0 |
0.000 |
| 6 |
9 |
|
[FMN]D:501 |
30 |
1 |
616 |
f |
D |
x,y,z |
1_555 |
55 |
25 |
14055 |
406.0 |
-3.6 |
0.599 |
15 |
0 |
0 |
0.216 |
10 |
|
[FMN]C:501 |
30 |
1 |
615 |
f |
C |
x,y,z |
1_555 |
56 |
25 |
14121 |
405.5 |
-3.8 |
0.592 |
15 |
0 |
0 |
0.216 |
11 |
|
[FMN]A:501 |
30 |
1 |
615 |
f |
A |
x,y,z |
1_555 |
57 |
25 |
13666 |
399.7 |
-3.5 |
0.625 |
15 |
0 |
0 |
0.216 |
12 |
|
[FMN]B:501 |
30 |
1 |
616 |
f |
B |
x,y,z |
1_555 |
55 |
27 |
13763 |
397.7 |
-3.8 |
0.622 |
16 |
0 |
0 |
0.216 |
| Average: |
402.2 |
-3.7 |
0.609 |
15 |
0 |
0 |
0.216 |
| 7 |
13 |
|
D |
35 |
12 |
14055 |
x |
D |
x-1,y,z |
1_455 |
34 |
13 |
14055 |
290.4 |
0.1 |
0.599 |
2 |
7 |
0 |
0.000 |
14 |
|
B |
31 |
10 |
13763 |
x |
B |
x-1,y,z |
1_455 |
34 |
12 |
13763 |
290.2 |
-0.8 |
0.464 |
1 |
6 |
0 |
0.000 |
| Average: |
290.3 |
-0.3 |
0.532 |
2 |
7 |
0 |
0.000 |
| 8 |
15 |
|
A |
31 |
8 |
13666 |
x |
A |
x-1,y,z |
1_455 |
32 |
11 |
13666 |
289.8 |
2.7 |
0.811 |
3 |
6 |
0 |
0.000 |
16 |
|
C |
31 |
10 |
14121 |
x |
C |
x-1,y,z |
1_455 |
31 |
12 |
14121 |
288.7 |
1.9 |
0.726 |
3 |
6 |
0 |
0.000 |
| Average: |
289.2 |
2.3 |
0.769 |
3 |
6 |
0 |
0.000 |
| 9 |
17 |
|
A |
35 |
10 |
13666 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
29 |
8 |
14055 |
282.1 |
-1.2 |
0.318 |
2 |
4 |
0 |
0.000 |
| 10 |
18 |
|
B |
30 |
8 |
13763 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
13666 |
250.2 |
-0.8 |
0.515 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
D |
29 |
9 |
14055 |
◊ |
C |
x,y,z |
1_555 |
30 |
8 |
14121 |
248.4 |
-1.0 |
0.450 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
B |
33 |
10 |
13763 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
20 |
8 |
14121 |
211.4 |
-0.8 |
0.438 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
A |
19 |
7 |
13666 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
23 |
7 |
14121 |
209.0 |
-2.5 |
0.172 |
1 |
0 |
0 |
0.000 |
| 14 |
22 |
|
A |
19 |
9 |
13666 |
◊ |
C |
x,y-1,z |
1_545 |
22 |
8 |
14121 |
202.9 |
1.1 |
0.643 |
1 |
2 |
0 |
0.000 |
| 15 |
23 |
|
B |
22 |
10 |
13763 |
◊ |
D |
x,y-1,z |
1_545 |
19 |
6 |
14055 |
169.6 |
1.7 |
0.810 |
2 |
7 |
0 |
0.000 |
24 |
|
A |
17 |
8 |
13666 |
◊ |
C |
x-1,y-1,z |
1_445 |
21 |
8 |
14121 |
154.2 |
0.9 |
0.708 |
0 |
2 |
0 |
0.000 |
| Average: |
161.9 |
1.3 |
0.759 |
1 |
5 |
0 |
0.000 |
| 16 |
25 |
|
B |
18 |
5 |
13763 |
◊ |
D |
x-1,y-1,z |
1_445 |
16 |
5 |
14055 |
155.8 |
1.3 |
0.778 |
2 |
5 |
0 |
0.000 |
| 17 |
26 |
|
[HBA]B:601 |
9 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
13763 |
144.6 |
3.2 |
0.303 |
3 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[HBA]D:603 |
9 |
1 |
269 |
f |
D |
x,y,z |
1_555 |
19 |
11 |
14055 |
142.0 |
3.5 |
0.338 |
3 |
0 |
0 |
0.000 |
28 |
|
[HBA]C:602 |
9 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
23 |
13 |
14121 |
141.0 |
3.3 |
0.327 |
3 |
0 |
0 |
0.000 |
29 |
|
[HBA]A:600 |
9 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
13666 |
137.5 |
3.4 |
0.354 |
3 |
0 |
0 |
0.000 |
| Average: |
140.2 |
3.4 |
0.340 |
3 |
0 |
0 |
0.000 |
| 19 |
30 |
|
C |
15 |
5 |
14121 |
◊ |
D |
x,y,z-1 |
1_554 |
15 |
5 |
14055 |
120.8 |
-0.1 |
0.481 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
B |
9 |
5 |
13763 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
11 |
3 |
14055 |
89.5 |
-1.3 |
0.184 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
A |
15 |
5 |
13666 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
4 |
13763 |
82.9 |
0.5 |
0.708 |
0 |
0 |
0 |
0.000 |
| 22 |
33 |
|
[HBA]A:600 |
9 |
1 |
268 |
f |
[FMN]A:501 |
x,y,z |
1_555 |
18 |
1 |
615 |
82.8 |
3.3 |
0.211 |
0 |
0 |
0 |
0.000 |
34 |
|
[HBA]D:603 |
9 |
1 |
269 |
f |
[FMN]D:501 |
x,y,z |
1_555 |
18 |
1 |
616 |
82.5 |
3.3 |
0.216 |
0 |
0 |
0 |
0.000 |
35 |
|
[HBA]C:602 |
9 |
1 |
270 |
f |
[FMN]C:501 |
x,y,z |
1_555 |
18 |
1 |
615 |
81.3 |
3.2 |
0.202 |
0 |
0 |
0 |
0.000 |
| Average: |
82.2 |
3.3 |
0.210 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[HBA]B:601 |
9 |
1 |
271 |
f |
[FMN]B:501 |
x,y,z |
1_555 |
19 |
1 |
616 |
80.0 |
3.4 |
0.196 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[FMN]B:501 |
1 |
1 |
616 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
14055 |
7.9 |
-0.4 |
0.401 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
1 |
1 |
13763 |
◊ |
[FMN]C:501 |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
615 |
7.6 |
-0.3 |
0.600 |
0 |
0 |
0 |
0.000 |
| Average: |
7.8 |
-0.3 |
0.501 |
0 |
0 |
0 |
0.000 |
|