| ## |
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 |
|
I |
123 |
35 |
16714 |
◊ |
A |
x,y,z |
1_555 |
127 |
36 |
16970 |
1172.3 |
-5.2 |
0.288 |
20 |
15 |
0 |
0.245 |
2 |
|
G |
122 |
34 |
16524 |
◊ |
E |
x,y,z |
1_555 |
122 |
33 |
16838 |
1136.8 |
-5.9 |
0.260 |
17 |
14 |
0 |
0.245 |
3 |
|
F |
125 |
34 |
16546 |
◊ |
C |
x,y,z |
1_555 |
125 |
34 |
16516 |
1113.4 |
-8.8 |
0.152 |
15 |
13 |
0 |
0.245 |
4 |
|
J |
118 |
33 |
16506 |
◊ |
D |
x,y,z |
1_555 |
118 |
33 |
16694 |
1104.7 |
-6.3 |
0.239 |
14 |
11 |
0 |
0.245 |
5 |
|
H |
120 |
34 |
16638 |
◊ |
B |
x,y,z |
1_555 |
119 |
34 |
16666 |
1104.0 |
-6.1 |
0.237 |
19 |
14 |
0 |
0.245 |
| Average: |
1126.3 |
-6.5 |
0.235 |
17 |
13 |
0 |
0.245 |
| 2 |
6 |
|
[FAD]G:450 |
53 |
1 |
1000 |
f |
G |
x,y,z |
1_555 |
115 |
45 |
16524 |
739.1 |
-7.0 |
0.442 |
12 |
0 |
0 |
0.401 |
7 |
|
[FAD]H:450 |
53 |
1 |
997 |
f |
H |
x,y,z |
1_555 |
112 |
45 |
16638 |
738.3 |
-5.8 |
0.497 |
16 |
0 |
0 |
0.401 |
8 |
|
[FAD]I:450 |
53 |
1 |
995 |
f |
I |
x,y,z |
1_555 |
114 |
47 |
16714 |
736.1 |
-6.9 |
0.437 |
15 |
0 |
0 |
0.401 |
9 |
|
[FAD]A:450 |
53 |
1 |
1006 |
f |
A |
x,y,z |
1_555 |
113 |
45 |
16970 |
735.4 |
-6.6 |
0.463 |
16 |
0 |
0 |
0.401 |
10 |
|
[FAD]B:450 |
53 |
1 |
993 |
f |
B |
x,y,z |
1_555 |
113 |
45 |
16666 |
734.5 |
-7.9 |
0.354 |
15 |
0 |
0 |
0.401 |
11 |
|
[FAD]D:450 |
53 |
1 |
993 |
f |
D |
x,y,z |
1_555 |
113 |
45 |
16694 |
733.5 |
-6.3 |
0.451 |
15 |
0 |
0 |
0.401 |
12 |
|
[FAD]E:450 |
52 |
1 |
1000 |
f |
E |
x,y,z |
1_555 |
115 |
45 |
16838 |
731.7 |
-7.2 |
0.395 |
15 |
0 |
0 |
0.401 |
13 |
|
[FAD]C:450 |
53 |
1 |
994 |
f |
C |
x,y,z |
1_555 |
114 |
43 |
16516 |
730.5 |
-6.6 |
0.452 |
17 |
0 |
0 |
0.401 |
14 |
|
[FAD]F:450 |
53 |
1 |
998 |
f |
F |
x,y,z |
1_555 |
114 |
46 |
16546 |
726.0 |
-7.9 |
0.355 |
10 |
0 |
0 |
0.401 |
15 |
|
[FAD]J:450 |
53 |
1 |
993 |
f |
J |
x,y,z |
1_555 |
114 |
45 |
16506 |
726.0 |
-8.2 |
0.319 |
15 |
0 |
0 |
0.401 |
| Average: |
733.1 |
-7.1 |
0.416 |
15 |
0 |
0 |
0.401 |
| 3 |
16 |
|
H |
82 |
23 |
16638 |
◊ |
E |
x,y,z |
1_555 |
78 |
25 |
16838 |
683.0 |
-1.5 |
0.461 |
7 |
4 |
0 |
0.159 |
17 |
|
H |
73 |
25 |
16638 |
◊ |
F |
x,y,z |
1_555 |
79 |
21 |
16546 |
664.6 |
-2.4 |
0.399 |
8 |
3 |
0 |
0.159 |
18 |
|
G |
73 |
25 |
16524 |
◊ |
A |
x,y,z |
1_555 |
77 |
22 |
16970 |
662.6 |
-2.8 |
0.363 |
7 |
2 |
0 |
0.159 |
19 |
|
C |
76 |
26 |
16516 |
◊ |
B |
x,y,z |
1_555 |
76 |
21 |
16666 |
654.3 |
-2.5 |
0.408 |
8 |
3 |
0 |
0.159 |
20 |
|
I |
71 |
26 |
16714 |
◊ |
E |
x,y,z |
1_555 |
75 |
20 |
16838 |
650.2 |
-2.5 |
0.398 |
10 |
3 |
0 |
0.159 |
21 |
|
J |
71 |
24 |
16506 |
◊ |
C |
x,y,z |
1_555 |
82 |
23 |
16516 |
648.3 |
-2.3 |
0.437 |
9 |
2 |
0 |
0.159 |
22 |
|
G |
77 |
22 |
16524 |
◊ |
B |
x,y,z |
1_555 |
75 |
25 |
16666 |
646.2 |
-3.1 |
0.355 |
10 |
3 |
0 |
0.159 |
23 |
|
J |
78 |
22 |
16506 |
◊ |
A |
x,y,z |
1_555 |
71 |
25 |
16970 |
643.9 |
-3.2 |
0.325 |
7 |
2 |
0 |
0.159 |
24 |
|
F |
72 |
25 |
16546 |
◊ |
D |
x,y,z |
1_555 |
77 |
22 |
16694 |
643.6 |
-3.1 |
0.346 |
7 |
3 |
0 |
0.159 |
25 |
|
I |
75 |
21 |
16714 |
◊ |
D |
x,y,z |
1_555 |
72 |
26 |
16694 |
641.8 |
-3.8 |
0.287 |
8 |
2 |
0 |
0.159 |
| Average: |
653.9 |
-2.7 |
0.378 |
8 |
3 |
0 |
0.159 |
| 4 |
26 |
|
G |
51 |
16 |
16524 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
55 |
19 |
16516 |
479.8 |
1.0 |
0.689 |
6 |
1 |
0 |
0.000 |
| 5 |
27 |
|
A |
51 |
14 |
16970 |
◊ |
F |
-x-1,y-1/2,-z+1/2 |
3_445 |
47 |
12 |
16546 |
439.2 |
0.4 |
0.628 |
6 |
0 |
0 |
0.000 |
| 6 |
28 |
|
[UDP]E:400 |
25 |
1 |
508 |
f |
E |
x,y,z |
1_555 |
50 |
19 |
16838 |
372.7 |
-5.6 |
0.669 |
19 |
0 |
0 |
0.375 |
29 |
|
[UDP]A:400 |
25 |
1 |
507 |
f |
A |
x,y,z |
1_555 |
47 |
19 |
16970 |
372.3 |
-5.1 |
0.671 |
15 |
0 |
0 |
0.375 |
30 |
|
[UDP]B:400 |
24 |
1 |
503 |
f |
B |
x,y,z |
1_555 |
47 |
19 |
16666 |
368.8 |
-6.0 |
0.652 |
17 |
0 |
0 |
0.375 |
31 |
|
[UDP]I:400 |
25 |
1 |
508 |
f |
I |
x,y,z |
1_555 |
47 |
20 |
16714 |
368.6 |
-5.7 |
0.662 |
19 |
0 |
0 |
0.375 |
32 |
|
[UDP]D:400 |
24 |
1 |
506 |
f |
D |
x,y,z |
1_555 |
46 |
19 |
16694 |
368.5 |
-6.0 |
0.623 |
17 |
0 |
0 |
0.375 |
33 |
|
[UDP]F:400 |
25 |
1 |
509 |
f |
F |
x,y,z |
1_555 |
46 |
19 |
16546 |
368.4 |
-5.3 |
0.671 |
14 |
0 |
0 |
0.375 |
34 |
|
[UDP]G:400 |
25 |
1 |
507 |
f |
G |
x,y,z |
1_555 |
48 |
19 |
16524 |
368.4 |
-5.4 |
0.670 |
15 |
0 |
0 |
0.375 |
35 |
|
[UDP]H:400 |
24 |
1 |
507 |
f |
H |
x,y,z |
1_555 |
46 |
19 |
16638 |
368.3 |
-5.2 |
0.683 |
20 |
0 |
0 |
0.375 |
36 |
|
[UDP]J:400 |
25 |
1 |
503 |
f |
J |
x,y,z |
1_555 |
47 |
19 |
16506 |
367.2 |
-5.6 |
0.659 |
15 |
0 |
0 |
0.375 |
37 |
|
[UDP]C:400 |
25 |
1 |
504 |
f |
C |
x,y,z |
1_555 |
47 |
19 |
16516 |
365.6 |
-5.7 |
0.667 |
18 |
0 |
0 |
0.375 |
| Average: |
368.9 |
-5.5 |
0.663 |
17 |
0 |
0 |
0.375 |
| 7 |
38 |
|
A |
40 |
12 |
16970 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
38 |
10 |
16666 |
345.2 |
-4.2 |
0.148 |
0 |
0 |
0 |
0.000 |
| 8 |
39 |
|
A |
34 |
10 |
16970 |
◊ |
H |
-x-1/2,-y-1,z-1/2 |
2_444 |
37 |
9 |
16638 |
306.5 |
3.3 |
0.855 |
4 |
4 |
0 |
0.000 |
| 9 |
40 |
|
F |
28 |
8 |
16546 |
◊ |
H |
x-1/2,-y-1/2,-z+1 |
4_446 |
38 |
13 |
16638 |
304.6 |
1.1 |
0.702 |
3 |
1 |
0 |
0.000 |
| 10 |
41 |
|
J |
37 |
11 |
16506 |
◊ |
H |
-x-1/2,-y-1,z-1/2 |
2_444 |
39 |
12 |
16638 |
296.2 |
3.8 |
0.880 |
3 |
4 |
0 |
0.000 |
| 11 |
42 |
|
I |
31 |
9 |
16714 |
◊ |
F |
-x-1,y-1/2,-z+1/2 |
3_445 |
27 |
10 |
16546 |
208.1 |
-0.6 |
0.495 |
0 |
0 |
0 |
0.000 |
| 12 |
43 |
|
I |
24 |
8 |
16714 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
20 |
8 |
16694 |
196.4 |
-0.3 |
0.509 |
2 |
2 |
0 |
0.000 |
| 13 |
44 |
|
I |
19 |
5 |
16714 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
23 |
7 |
16516 |
154.9 |
-0.8 |
0.453 |
0 |
1 |
0 |
0.000 |
| 14 |
45 |
|
H |
8 |
3 |
16638 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
16524 |
88.3 |
0.8 |
0.734 |
2 |
1 |
0 |
0.002 |
46 |
|
F |
9 |
3 |
16546 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
16666 |
87.1 |
0.7 |
0.725 |
2 |
2 |
0 |
0.002 |
47 |
|
J |
9 |
3 |
16506 |
◊ |
I |
x,y,z |
1_555 |
8 |
3 |
16714 |
82.0 |
0.2 |
0.641 |
1 |
0 |
0 |
0.002 |
48 |
|
D |
8 |
3 |
16694 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
16516 |
80.1 |
1.5 |
0.857 |
2 |
2 |
0 |
0.002 |
49 |
|
E |
8 |
3 |
16838 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
16970 |
77.9 |
0.5 |
0.666 |
1 |
1 |
0 |
0.002 |
| Average: |
83.1 |
0.7 |
0.725 |
2 |
1 |
0 |
0.002 |
| 15 |
50 |
|
I |
12 |
3 |
16714 |
◊ |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
5 |
16506 |
86.7 |
-0.5 |
0.488 |
0 |
0 |
0 |
0.000 |
| 16 |
51 |
|
G |
12 |
3 |
16524 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
16666 |
83.2 |
2.0 |
0.771 |
2 |
0 |
0 |
0.000 |
| 17 |
52 |
|
A |
3 |
1 |
16970 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
10 |
4 |
16694 |
32.2 |
0.4 |
0.704 |
0 |
0 |
0 |
0.000 |
| 18 |
53 |
|
[FAD]F:450 |
10 |
1 |
998 |
f |
[UDP]F:400 |
x,y,z |
1_555 |
4 |
1 |
509 |
24.1 |
-0.9 |
0.577 |
0 |
0 |
0 |
0.026 |
54 |
|
[FAD]G:450 |
10 |
1 |
1000 |
f |
[UDP]G:400 |
x,y,z |
1_555 |
4 |
1 |
507 |
24.0 |
-0.9 |
0.597 |
0 |
0 |
0 |
0.026 |
55 |
|
[FAD]E:450 |
10 |
1 |
1000 |
f |
[UDP]E:400 |
x,y,z |
1_555 |
4 |
1 |
508 |
23.8 |
-0.8 |
0.600 |
0 |
0 |
0 |
0.026 |
56 |
|
[FAD]J:450 |
11 |
1 |
993 |
f |
[UDP]J:400 |
x,y,z |
1_555 |
4 |
1 |
503 |
23.8 |
-0.9 |
0.585 |
0 |
0 |
0 |
0.026 |
57 |
|
[FAD]A:450 |
11 |
1 |
1006 |
f |
[UDP]A:400 |
x,y,z |
1_555 |
4 |
1 |
507 |
23.2 |
-0.8 |
0.599 |
0 |
0 |
0 |
0.026 |
58 |
|
[FAD]H:450 |
11 |
1 |
997 |
f |
[UDP]H:400 |
x,y,z |
1_555 |
4 |
1 |
507 |
22.3 |
-0.9 |
0.600 |
0 |
0 |
0 |
0.026 |
59 |
|
[FAD]B:450 |
8 |
1 |
993 |
f |
[UDP]B:400 |
x,y,z |
1_555 |
3 |
1 |
503 |
22.2 |
-0.9 |
0.559 |
0 |
0 |
0 |
0.026 |
60 |
|
[FAD]C:450 |
8 |
1 |
994 |
f |
[UDP]C:400 |
x,y,z |
1_555 |
3 |
1 |
504 |
22.0 |
-0.8 |
0.556 |
0 |
0 |
0 |
0.026 |
61 |
|
[FAD]D:450 |
8 |
1 |
993 |
f |
[UDP]D:400 |
x,y,z |
1_555 |
3 |
1 |
506 |
19.7 |
-0.9 |
0.563 |
0 |
0 |
0 |
0.026 |
62 |
|
[FAD]I:450 |
8 |
1 |
995 |
f |
[UDP]I:400 |
x,y,z |
1_555 |
3 |
1 |
508 |
19.5 |
-0.7 |
0.575 |
0 |
0 |
0 |
0.026 |
| Average: |
22.5 |
-0.9 |
0.581 |
0 |
0 |
0 |
0.026 |
| 19 |
63 |
|
F |
6 |
3 |
16546 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
3 |
1 |
16666 |
16.2 |
0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
| 20 |
64 |
|
J |
2 |
2 |
16506 |
◊ |
E |
-x-1/2,-y-1,z-1/2 |
2_444 |
2 |
2 |
16838 |
5.9 |
0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
|