| ## |
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 |
153 |
39 |
16050 |
◊ |
B |
-x,y,-z |
2_555 |
153 |
39 |
16050 |
1433.9 |
-1.0 |
0.354 |
20 |
14 |
0 |
0.005 |
2 |
|
C |
155 |
40 |
16029 |
◊ |
C |
-x,y,-z |
2_555 |
155 |
40 |
16029 |
1432.1 |
-0.9 |
0.359 |
18 |
14 |
0 |
0.005 |
3 |
|
D |
156 |
39 |
16037 |
◊ |
A |
x,y,z |
1_555 |
154 |
39 |
16050 |
1413.3 |
-1.5 |
0.331 |
21 |
14 |
0 |
0.005 |
| Average: |
1426.4 |
-1.1 |
0.348 |
20 |
14 |
0 |
0.005 |
| 2 |
4 |
|
C |
109 |
29 |
16029 |
◊ |
C |
-x,y,-z+1 |
2_556 |
103 |
28 |
16029 |
893.7 |
4.1 |
0.662 |
4 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
90 |
24 |
16050 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
91 |
25 |
16037 |
800.4 |
2.0 |
0.543 |
9 |
7 |
0 |
0.000 |
6 |
|
C |
90 |
24 |
16029 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
88 |
24 |
16050 |
786.3 |
2.8 |
0.598 |
9 |
6 |
0 |
0.000 |
7 |
|
B |
85 |
22 |
16050 |
◊ |
A |
x,y,z |
1_555 |
88 |
23 |
16050 |
777.5 |
2.2 |
0.564 |
9 |
8 |
0 |
0.000 |
8 |
|
D |
86 |
23 |
16037 |
◊ |
C |
-x,y,-z |
2_555 |
84 |
21 |
16029 |
755.9 |
2.4 |
0.576 |
8 |
7 |
0 |
0.000 |
| Average: |
780.0 |
2.3 |
0.570 |
9 |
7 |
0 |
0.000 |
| 4 |
9 |
|
[FAD]C:402 |
52 |
1 |
972 |
f |
C |
x,y,z |
1_555 |
99 |
38 |
16029 |
672.3 |
-8.4 |
0.237 |
22 |
0 |
0 |
0.014 |
10 |
|
[FAD]B:402 |
52 |
1 |
970 |
f |
B |
x,y,z |
1_555 |
99 |
38 |
16050 |
671.3 |
-9.0 |
0.228 |
21 |
0 |
0 |
0.014 |
11 |
|
[FAD]D:402 |
53 |
1 |
968 |
f |
D |
x,y,z |
1_555 |
95 |
38 |
16037 |
668.9 |
-8.8 |
0.229 |
21 |
0 |
0 |
0.014 |
12 |
|
[FAD]A:1001 |
53 |
1 |
960 |
f |
A |
x,y,z |
1_555 |
95 |
38 |
16050 |
665.3 |
-8.7 |
0.237 |
21 |
0 |
0 |
0.014 |
| Average: |
669.4 |
-8.7 |
0.233 |
21 |
0 |
0 |
0.014 |
| 5 |
13 |
|
[NAP]D:403 |
45 |
1 |
802 |
f |
D |
x,y,z |
1_555 |
62 |
26 |
16037 |
551.7 |
-0.4 |
0.473 |
12 |
0 |
0 |
0.005 |
14 |
|
[NAP]A:1002 |
45 |
1 |
798 |
f |
A |
x,y,z |
1_555 |
63 |
27 |
16050 |
550.4 |
-0.2 |
0.478 |
12 |
0 |
0 |
0.005 |
15 |
|
[NAP]B:403 |
45 |
1 |
797 |
f |
B |
x,y,z |
1_555 |
62 |
25 |
16050 |
545.5 |
-0.4 |
0.461 |
13 |
0 |
0 |
0.005 |
16 |
|
[NAP]C:403 |
45 |
1 |
797 |
f |
C |
x,y,z |
1_555 |
64 |
26 |
16029 |
538.7 |
-0.2 |
0.489 |
11 |
0 |
0 |
0.005 |
| Average: |
546.6 |
-0.3 |
0.475 |
12 |
0 |
0 |
0.005 |
| 6 |
17 |
|
B |
41 |
13 |
16050 |
◊ |
B |
-x,y,-z+1 |
2_556 |
42 |
13 |
16050 |
406.8 |
9.4 |
0.972 |
6 |
6 |
0 |
0.000 |
| 7 |
18 |
|
D |
37 |
11 |
16037 |
◊ |
A |
x,y,z-1 |
1_554 |
43 |
15 |
16050 |
334.2 |
4.5 |
0.803 |
3 |
1 |
0 |
0.000 |
| 8 |
19 |
|
[B3P]D:404 |
15 |
1 |
472 |
f |
D |
x,y,z |
1_555 |
27 |
11 |
16037 |
192.9 |
3.9 |
0.355 |
8 |
0 |
0 |
0.000 |
20 |
|
[B3P]A:1003 |
15 |
1 |
474 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
16050 |
191.8 |
4.1 |
0.379 |
8 |
0 |
0 |
0.000 |
21 |
|
[B3P]B:404 |
14 |
1 |
470 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
16050 |
189.7 |
3.7 |
0.349 |
8 |
0 |
0 |
0.000 |
22 |
|
[B3P]C:404 |
14 |
1 |
475 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
16029 |
188.6 |
3.9 |
0.405 |
8 |
0 |
0 |
0.000 |
| Average: |
190.7 |
3.9 |
0.372 |
8 |
0 |
0 |
0.000 |
| 9 |
23 |
|
D |
20 |
7 |
16037 |
◊ |
C |
x,y,z-1 |
1_554 |
25 |
7 |
16029 |
191.3 |
1.1 |
0.638 |
1 |
2 |
0 |
0.000 |
| 10 |
24 |
|
[B3P]C:404 |
8 |
1 |
475 |
◊ |
D |
-x,y,-z |
2_555 |
19 |
7 |
16037 |
115.0 |
2.0 |
0.416 |
0 |
0 |
0 |
0.000 |
25 |
|
[B3P]B:404 |
8 |
1 |
470 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
16050 |
113.0 |
2.3 |
0.428 |
0 |
0 |
0 |
0.000 |
26 |
|
C |
18 |
7 |
16029 |
◊ |
[B3P]A:1003 |
x-1/2,y+1/2,z |
3_455 |
8 |
1 |
474 |
112.4 |
2.2 |
0.430 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
18 |
7 |
16050 |
◊ |
[B3P]D:404 |
-x+1/2,y-1/2,-z |
4_545 |
8 |
1 |
472 |
112.1 |
1.9 |
0.389 |
0 |
0 |
0 |
0.000 |
| Average: |
113.1 |
2.1 |
0.416 |
0 |
0 |
0 |
0.000 |
| 11 |
28 |
|
D |
8 |
3 |
16037 |
◊ |
A |
-x+1,y,-z |
2_655 |
10 |
5 |
16050 |
84.3 |
1.5 |
0.799 |
3 |
0 |
0 |
0.000 |
29 |
|
C |
9 |
4 |
16029 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
16050 |
78.9 |
1.4 |
0.779 |
4 |
0 |
0 |
0.000 |
| Average: |
81.6 |
1.5 |
0.789 |
4 |
0 |
0 |
0.000 |
| 12 |
30 |
|
[NAP]D:403 |
11 |
1 |
802 |
f |
[FAD]D:402 |
x,y,z |
1_555 |
16 |
1 |
968 |
83.6 |
0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAP]C:403 |
11 |
1 |
797 |
f |
[FAD]C:402 |
x,y,z |
1_555 |
15 |
1 |
972 |
83.3 |
0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAP]B:403 |
12 |
1 |
797 |
f |
[FAD]B:402 |
x,y,z |
1_555 |
16 |
1 |
970 |
83.1 |
0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAP]A:1002 |
11 |
1 |
798 |
f |
[FAD]A:1001 |
x,y,z |
1_555 |
15 |
1 |
960 |
81.4 |
0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
| Average: |
82.9 |
0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
| 13 |
34 |
|
[K]A:1004 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
16050 |
82.7 |
-69.4 |
0.000 |
0 |
0 |
0 |
0.054 |
35 |
|
[K]C:401 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
16029 |
82.3 |
-69.6 |
0.000 |
0 |
0 |
0 |
0.054 |
36 |
|
[K]D:401 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
16037 |
82.2 |
-69.2 |
0.000 |
0 |
0 |
0 |
0.054 |
37 |
|
[K]B:401 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
16050 |
82.1 |
-67.9 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
82.3 |
-69.0 |
0.000 |
0 |
0 |
0 |
0.054 |
| 14 |
38 |
|
[K]B:401 |
1 |
1 |
216 |
f |
[FAD]B:402 |
x,y,z |
1_555 |
13 |
1 |
970 |
50.2 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.018 |
39 |
|
[K]D:401 |
1 |
1 |
216 |
f |
[FAD]D:402 |
x,y,z |
1_555 |
13 |
1 |
968 |
48.0 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.018 |
40 |
|
[K]C:401 |
1 |
1 |
216 |
f |
[FAD]C:402 |
x,y,z |
1_555 |
13 |
1 |
972 |
47.5 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.018 |
41 |
|
[K]A:1004 |
1 |
1 |
216 |
f |
[FAD]A:1001 |
x,y,z |
1_555 |
12 |
1 |
960 |
46.3 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
48.0 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| 15 |
42 |
|
[K]A:1004 |
1 |
1 |
216 |
f |
[NAP]A:1002 |
x,y,z |
1_555 |
3 |
1 |
798 |
41.3 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.012 |
43 |
|
[K]B:401 |
1 |
1 |
216 |
f |
[NAP]B:403 |
x,y,z |
1_555 |
3 |
1 |
797 |
41.2 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.012 |
44 |
|
[K]C:401 |
1 |
1 |
216 |
f |
[NAP]C:403 |
x,y,z |
1_555 |
3 |
1 |
797 |
41.0 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.012 |
45 |
|
[K]D:401 |
1 |
1 |
216 |
f |
[NAP]D:403 |
x,y,z |
1_555 |
3 |
1 |
802 |
40.9 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
41.1 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 16 |
46 |
|
B |
2 |
2 |
16050 |
◊ |
[NAP]D:403 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
802 |
3.7 |
0.0 |
0.491 |
0 |
0 |
0 |
0.000 |
47 |
|
C |
1 |
1 |
16029 |
◊ |
[NAP]A:1002 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
798 |
3.1 |
0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAP]C:403 |
1 |
1 |
797 |
◊ |
D |
-x,y,-z |
2_555 |
1 |
1 |
16037 |
2.4 |
0.0 |
0.472 |
0 |
0 |
0 |
0.000 |
49 |
|
[NAP]B:403 |
1 |
1 |
797 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16050 |
1.5 |
0.0 |
0.502 |
0 |
0 |
0 |
0.000 |
| Average: |
2.7 |
0.0 |
0.481 |
0 |
0 |
0 |
0.000 |
| 17 |
50 |
|
A |
2 |
2 |
16050 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
2 |
2 |
16050 |
1.7 |
0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
|