| ## |
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 |
167 |
48 |
24305 |
◊ |
A |
x,y,z |
1_555 |
172 |
50 |
24268 |
1723.6 |
-13.2 |
0.179 |
19 |
12 |
0 |
0.181 |
| 2 |
2 |
|
[FAD]H:601 |
52 |
1 |
999 |
f |
H |
x,y,z |
1_555 |
97 |
39 |
24305 |
662.1 |
-7.4 |
0.479 |
17 |
0 |
0 |
0.233 |
3 |
|
[FAD]A:601 |
52 |
1 |
995 |
f |
A |
x,y,z |
1_555 |
97 |
39 |
24268 |
660.8 |
-7.6 |
0.451 |
17 |
0 |
0 |
0.233 |
| Average: |
661.5 |
-7.5 |
0.465 |
17 |
0 |
0 |
0.233 |
| 3 |
4 |
|
A |
77 |
23 |
24268 |
◊ |
H |
-y+1/2,x,z-1/4 |
6_544 |
77 |
24 |
24305 |
622.0 |
-1.4 |
0.621 |
9 |
3 |
0 |
0.000 |
| 4 |
5 |
|
H |
63 |
26 |
24305 |
◊ |
A |
-y,x-1/2,z+1/4 |
2_545 |
76 |
29 |
24268 |
612.9 |
-2.2 |
0.546 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[TRT]A:608 |
23 |
1 |
642 |
f |
A |
x,y,z |
1_555 |
47 |
17 |
24268 |
394.7 |
-1.9 |
0.148 |
1 |
0 |
0 |
0.036 |
7 |
|
[TRT]H:608 |
22 |
1 |
657 |
f |
H |
x,y,z |
1_555 |
47 |
17 |
24305 |
389.1 |
-2.3 |
0.180 |
0 |
0 |
0 |
0.036 |
| Average: |
391.9 |
-2.1 |
0.164 |
1 |
0 |
0 |
0.036 |
| 6 |
8 |
|
[4W0]A:611 |
30 |
1 |
640 |
f |
A |
x,y,z |
1_555 |
65 |
17 |
24268 |
391.8 |
6.3 |
0.361 |
3 |
0 |
0 |
0.000 |
9 |
|
[4W0]H:609 |
29 |
1 |
640 |
f |
H |
x,y,z |
1_555 |
61 |
17 |
24305 |
388.5 |
6.7 |
0.386 |
5 |
0 |
0 |
0.000 |
| Average: |
390.1 |
6.5 |
0.374 |
4 |
0 |
0 |
0.000 |
| 7 |
10 |
|
A |
37 |
8 |
24268 |
◊ |
H |
x,y,z-1 |
1_554 |
39 |
12 |
24305 |
317.5 |
-2.1 |
0.451 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[4W0]A:609 |
27 |
1 |
643 |
◊ |
H |
x,y,z |
1_555 |
34 |
13 |
24305 |
257.9 |
4.6 |
0.274 |
2 |
0 |
0 |
0.000 |
12 |
|
[4W0]A:610 |
26 |
1 |
641 |
◊ |
A |
x,y,z |
1_555 |
33 |
13 |
24268 |
257.6 |
4.9 |
0.318 |
1 |
0 |
0 |
0.000 |
| Average: |
257.8 |
4.7 |
0.296 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[TRT]A:606 |
22 |
1 |
652 |
f |
A |
x,y,z |
1_555 |
32 |
8 |
24268 |
255.5 |
1.0 |
0.315 |
2 |
0 |
0 |
0.000 |
14 |
|
[TRT]H:606 |
21 |
1 |
658 |
f |
H |
x,y,z |
1_555 |
31 |
8 |
24305 |
251.4 |
1.3 |
0.339 |
1 |
0 |
0 |
0.000 |
| Average: |
253.5 |
1.2 |
0.327 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[TRT]H:607 |
14 |
1 |
546 |
◊ |
A |
x,y,z |
1_555 |
27 |
6 |
24268 |
195.2 |
-0.0 |
0.181 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[4W0]A:609 |
19 |
1 |
643 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
24268 |
190.3 |
1.4 |
0.166 |
1 |
0 |
0 |
0.000 |
17 |
|
[4W0]A:610 |
18 |
1 |
641 |
◊ |
H |
x,y,z |
1_555 |
19 |
8 |
24305 |
185.7 |
1.3 |
0.179 |
2 |
0 |
0 |
0.000 |
| Average: |
188.0 |
1.4 |
0.172 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[TRT]A:607 |
16 |
1 |
536 |
◊ |
H |
x,y,z |
1_555 |
29 |
6 |
24305 |
190.1 |
0.6 |
0.234 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[TRT]H:607 |
11 |
1 |
546 |
f |
H |
x,y,z |
1_555 |
12 |
2 |
24305 |
100.6 |
-1.5 |
0.237 |
0 |
0 |
0 |
0.012 |
| 14 |
20 |
|
[TRT]A:607 |
10 |
1 |
536 |
f |
A |
x,y,z |
1_555 |
13 |
2 |
24268 |
99.3 |
-0.0 |
0.380 |
2 |
0 |
0 |
0.007 |
| 15 |
21 |
|
A |
8 |
5 |
24268 |
◊ |
A |
-x+1,-y,z |
7_544 |
8 |
5 |
24268 |
91.9 |
0.8 |
0.765 |
4 |
0 |
0 |
0.000 |
22 |
|
H |
7 |
4 |
24305 |
◊ |
H |
-x,-y,z |
7_444 |
7 |
4 |
24305 |
91.6 |
0.7 |
0.763 |
4 |
0 |
0 |
0.000 |
| Average: |
91.8 |
0.7 |
0.764 |
4 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[MG]A:605 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
24268 |
45.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.093 |
24 |
|
[MG]H:605 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
4 |
24305 |
44.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
45.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.093 |
| 17 |
25 |
|
[MG]H:604 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
24305 |
44.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.116 |
26 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
24268 |
44.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.116 |
| Average: |
44.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.116 |
| 18 |
27 |
|
[TRT]A:608 |
5 |
1 |
642 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
5 |
1 |
995 |
40.9 |
0.6 |
0.466 |
0 |
0 |
0 |
0.000 |
28 |
|
[TRT]H:608 |
4 |
1 |
657 |
f |
[FAD]H:601 |
x,y,z |
1_555 |
5 |
1 |
999 |
38.4 |
-0.2 |
0.397 |
0 |
0 |
0 |
0.000 |
| Average: |
39.7 |
0.2 |
0.431 |
0 |
0 |
0 |
0.000 |
| 19 |
29 |
|
[MG]H:602 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
24305 |
39.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.114 |
30 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
24268 |
39.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.114 |
| Average: |
39.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.114 |
| 20 |
31 |
|
[TRT]H:606 |
3 |
1 |
658 |
◊ |
[TRT]A:607 |
x,y,z |
1_555 |
3 |
1 |
536 |
37.2 |
2.3 |
0.633 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[MG]H:603 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
24305 |
35.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.097 |
33 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
24268 |
35.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.097 |
| Average: |
35.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.097 |
| 22 |
34 |
|
A |
4 |
2 |
24268 |
◊ |
H |
-y+1/2,x,z-5/4 |
6_543 |
3 |
1 |
24305 |
34.3 |
0.6 |
0.793 |
1 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[TRT]H:607 |
3 |
1 |
546 |
◊ |
[TRT]A:606 |
x,y,z |
1_555 |
2 |
1 |
652 |
32.8 |
2.2 |
0.627 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
[MG]H:603 |
1 |
1 |
98 |
f |
[FAD]H:601 |
x,y,z |
1_555 |
5 |
1 |
999 |
31.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.060 |
37 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
5 |
1 |
995 |
31.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
31.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.060 |
| 25 |
38 |
|
[MG]H:605 |
1 |
1 |
98 |
f |
[FAD]H:601 |
x,y,z |
1_555 |
6 |
1 |
999 |
31.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.068 |
39 |
|
[MG]A:605 |
1 |
1 |
98 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
6 |
1 |
995 |
31.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
31.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.068 |
| 26 |
40 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
5 |
1 |
995 |
24.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.052 |
41 |
|
[MG]H:602 |
1 |
1 |
98 |
f |
[FAD]H:601 |
x,y,z |
1_555 |
5 |
1 |
999 |
24.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
24.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.052 |
| 27 |
42 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
6 |
1 |
995 |
23.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.050 |
43 |
|
[MG]H:604 |
1 |
1 |
98 |
f |
[FAD]H:601 |
x,y,z |
1_555 |
6 |
1 |
999 |
23.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
23.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.050 |
| 28 |
44 |
|
[4W0]A:610 |
3 |
1 |
641 |
f |
[4W0]A:609 |
x,y,z |
1_555 |
2 |
1 |
643 |
10.6 |
-0.3 |
0.174 |
0 |
0 |
0 |
0.100 |
| 29 |
45 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
[MG]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 30 |
46 |
|
[MG]H:603 |
1 |
1 |
98 |
f |
[MG]H:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|