| ## |
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 |
|
E |
231 |
55 |
17999 |
◊ |
C |
x,y,z |
1_555 |
227 |
55 |
18195 |
2091.6 |
-5.1 |
0.615 |
49 |
16 |
0 |
0.418 |
2 |
|
F |
228 |
56 |
18133 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
231 |
56 |
17774 |
2087.5 |
-4.2 |
0.622 |
50 |
16 |
0 |
0.418 |
3 |
|
B |
230 |
56 |
18100 |
◊ |
A |
x,y,z |
1_555 |
228 |
56 |
17969 |
2072.7 |
-4.9 |
0.613 |
51 |
16 |
0 |
0.418 |
| Average: |
2083.9 |
-4.7 |
0.617 |
50 |
16 |
0 |
0.418 |
| 2 |
4 |
|
F |
180 |
47 |
18133 |
◊ |
C |
x,y,z |
1_555 |
183 |
45 |
18195 |
1824.7 |
-32.2 |
0.001 |
15 |
7 |
0 |
0.616 |
5 |
|
B |
179 |
45 |
18100 |
◊ |
A |
-x,-y,z |
2_555 |
181 |
45 |
17969 |
1811.4 |
-31.9 |
0.001 |
13 |
7 |
0 |
0.616 |
6 |
|
E |
169 |
41 |
17999 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
170 |
44 |
17774 |
1673.6 |
-28.6 |
0.003 |
13 |
7 |
0 |
0.616 |
| Average: |
1769.9 |
-30.9 |
0.002 |
14 |
7 |
0 |
0.616 |
| 3 |
7 |
|
[COA]F:411 |
44 |
1 |
919 |
f |
F |
x,y,z |
1_555 |
67 |
26 |
18133 |
555.2 |
2.7 |
0.535 |
7 |
0 |
0 |
0.013 |
8 |
|
[COA]D:411 |
44 |
1 |
926 |
f |
D |
x,y,z |
1_555 |
70 |
27 |
17774 |
549.5 |
3.0 |
0.533 |
8 |
0 |
0 |
0.013 |
9 |
|
[COA]A:411 |
44 |
1 |
935 |
f |
A |
x,y,z |
1_555 |
73 |
26 |
17969 |
539.7 |
3.1 |
0.563 |
7 |
0 |
0 |
0.013 |
10 |
|
[COA]B:411 |
46 |
1 |
918 |
f |
B |
x,y,z |
1_555 |
67 |
26 |
18100 |
526.9 |
3.1 |
0.560 |
7 |
0 |
0 |
0.013 |
11 |
|
[COA]E:411 |
44 |
1 |
929 |
f |
E |
x,y,z |
1_555 |
73 |
26 |
17999 |
522.4 |
3.8 |
0.638 |
7 |
0 |
0 |
0.013 |
| Average: |
538.7 |
3.1 |
0.566 |
7 |
0 |
0 |
0.013 |
| 4 |
12 |
|
[FAD]C:410 |
47 |
1 |
994 |
f |
C |
x,y,z |
1_555 |
82 |
29 |
18195 |
535.8 |
-5.3 |
0.458 |
14 |
0 |
0 |
0.378 |
13 |
|
[FAD]F:410 |
47 |
1 |
997 |
f |
F |
x,y,z |
1_555 |
84 |
30 |
18133 |
508.3 |
-4.9 |
0.467 |
15 |
0 |
0 |
0.378 |
14 |
|
[FAD]B:410 |
47 |
1 |
995 |
f |
B |
x,y,z |
1_555 |
81 |
29 |
18100 |
507.9 |
-5.0 |
0.446 |
14 |
0 |
0 |
0.378 |
15 |
|
[FAD]E:410 |
47 |
1 |
992 |
f |
E |
x,y,z |
1_555 |
81 |
28 |
17999 |
505.5 |
-4.6 |
0.487 |
17 |
0 |
0 |
0.378 |
16 |
|
[FAD]D:410 |
47 |
1 |
997 |
f |
D |
x,y,z |
1_555 |
81 |
28 |
17774 |
504.6 |
-5.2 |
0.446 |
12 |
0 |
0 |
0.378 |
17 |
|
[FAD]A:410 |
47 |
1 |
995 |
f |
A |
x,y,z |
1_555 |
78 |
28 |
17969 |
500.1 |
-5.2 |
0.446 |
14 |
0 |
0 |
0.378 |
| Average: |
510.4 |
-5.0 |
0.458 |
14 |
0 |
0 |
0.378 |
| 5 |
18 |
|
E |
54 |
15 |
17999 |
◊ |
B |
x,y,z |
1_555 |
56 |
16 |
18100 |
511.0 |
0.8 |
0.753 |
4 |
3 |
0 |
0.000 |
| 6 |
19 |
|
E |
48 |
13 |
17999 |
◊ |
A |
x,y,z |
1_555 |
41 |
15 |
17969 |
363.8 |
-0.9 |
0.618 |
1 |
0 |
0 |
0.000 |
20 |
|
C |
32 |
12 |
18195 |
◊ |
B |
x,y,z |
1_555 |
45 |
13 |
18100 |
322.2 |
-1.0 |
0.580 |
0 |
0 |
0 |
0.000 |
| Average: |
343.0 |
-1.0 |
0.599 |
1 |
0 |
0 |
0.000 |
| 7 |
21 |
|
[FAD]C:410 |
29 |
1 |
994 |
◊ |
E |
x,y,z |
1_555 |
49 |
15 |
17999 |
317.8 |
-5.5 |
0.333 |
5 |
0 |
0 |
0.223 |
22 |
|
[FAD]E:410 |
32 |
1 |
992 |
◊ |
C |
x,y,z |
1_555 |
50 |
15 |
18195 |
314.2 |
-5.7 |
0.326 |
6 |
0 |
0 |
0.223 |
23 |
|
[FAD]F:410 |
31 |
1 |
997 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
49 |
15 |
17774 |
311.1 |
-5.7 |
0.311 |
6 |
0 |
0 |
0.223 |
24 |
|
F |
49 |
15 |
18133 |
◊ |
[FAD]D:410 |
x-1/2,-y+1/2,-z |
4_455 |
30 |
1 |
997 |
311.1 |
-5.5 |
0.318 |
5 |
0 |
0 |
0.223 |
25 |
|
[FAD]A:410 |
32 |
1 |
995 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
18100 |
309.7 |
-5.4 |
0.331 |
5 |
0 |
0 |
0.223 |
26 |
|
[FAD]B:410 |
30 |
1 |
995 |
◊ |
A |
x,y,z |
1_555 |
51 |
15 |
17969 |
308.6 |
-5.4 |
0.339 |
5 |
0 |
0 |
0.223 |
| Average: |
312.1 |
-5.5 |
0.326 |
5 |
0 |
0 |
0.223 |
| 8 |
27 |
|
B |
42 |
9 |
18100 |
◊ |
B |
-x,-y,z |
2_555 |
41 |
9 |
18100 |
315.0 |
-5.2 |
0.176 |
4 |
0 |
0 |
0.061 |
28 |
|
F |
42 |
9 |
18133 |
◊ |
E |
x,y,z |
1_555 |
41 |
9 |
17999 |
309.9 |
-5.2 |
0.180 |
4 |
0 |
0 |
0.061 |
29 |
|
C |
39 |
9 |
18195 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
41 |
9 |
17774 |
308.2 |
-5.1 |
0.178 |
4 |
0 |
0 |
0.061 |
30 |
|
A |
38 |
9 |
17969 |
◊ |
A |
-x,-y,z |
2_555 |
38 |
9 |
17969 |
307.7 |
-5.2 |
0.160 |
4 |
0 |
0 |
0.061 |
| Average: |
310.2 |
-5.2 |
0.174 |
4 |
0 |
0 |
0.061 |
| 9 |
31 |
|
E |
36 |
15 |
17999 |
◊ |
F |
x-1/2,-y+1/2,-z-1 |
4_454 |
24 |
10 |
18133 |
215.9 |
1.4 |
0.783 |
2 |
1 |
0 |
0.000 |
| 10 |
32 |
|
A |
26 |
11 |
17969 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
17 |
7 |
18195 |
170.0 |
1.9 |
0.795 |
3 |
5 |
0 |
0.000 |
| 11 |
33 |
|
[SIN]C:412 |
8 |
1 |
248 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
18195 |
149.8 |
3.8 |
0.595 |
2 |
0 |
0 |
0.000 |
| 12 |
34 |
|
D |
10 |
3 |
17774 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
18195 |
123.6 |
1.9 |
0.825 |
3 |
3 |
0 |
0.000 |
| 13 |
35 |
|
D |
16 |
7 |
17774 |
◊ |
A |
-x,-y,z |
2_555 |
14 |
6 |
17969 |
116.8 |
1.5 |
0.826 |
3 |
0 |
0 |
0.000 |
| 14 |
36 |
|
E |
11 |
4 |
17999 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
18195 |
112.7 |
0.8 |
0.674 |
1 |
2 |
0 |
0.000 |
| 15 |
37 |
|
B |
12 |
3 |
18100 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
5 |
17774 |
96.0 |
0.1 |
0.648 |
1 |
1 |
0 |
0.000 |
| 16 |
38 |
|
A |
11 |
4 |
17969 |
◊ |
F |
x-1/2,-y+1/2,-z-1 |
4_454 |
15 |
4 |
18133 |
89.8 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
| 17 |
39 |
|
E |
9 |
3 |
17999 |
◊ |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
9 |
3 |
18195 |
88.0 |
0.2 |
0.449 |
2 |
0 |
0 |
0.000 |
| 18 |
40 |
|
[COA]A:411 |
6 |
1 |
935 |
f |
[FAD]A:410 |
x,y,z |
1_555 |
12 |
1 |
995 |
75.4 |
-1.5 |
0.414 |
1 |
0 |
0 |
0.067 |
41 |
|
[COA]B:411 |
6 |
1 |
918 |
f |
[FAD]B:410 |
x,y,z |
1_555 |
12 |
1 |
995 |
73.8 |
-1.6 |
0.410 |
0 |
0 |
0 |
0.067 |
42 |
|
[COA]D:411 |
6 |
1 |
926 |
f |
[FAD]D:410 |
x,y,z |
1_555 |
13 |
1 |
997 |
71.7 |
-1.7 |
0.412 |
0 |
0 |
0 |
0.067 |
43 |
|
[COA]F:411 |
6 |
1 |
919 |
f |
[FAD]F:410 |
x,y,z |
1_555 |
11 |
1 |
997 |
69.0 |
-1.7 |
0.396 |
1 |
0 |
0 |
0.067 |
44 |
|
[COA]E:411 |
6 |
1 |
929 |
f |
[FAD]E:410 |
x,y,z |
1_555 |
10 |
1 |
992 |
68.5 |
-1.8 |
0.367 |
1 |
0 |
0 |
0.067 |
| Average: |
71.7 |
-1.7 |
0.400 |
1 |
0 |
0 |
0.067 |
| 19 |
45 |
|
F |
12 |
6 |
18133 |
◊ |
F |
-x,-y+1,z |
2_565 |
12 |
6 |
18133 |
69.6 |
0.9 |
0.773 |
0 |
0 |
0 |
0.000 |
| 20 |
46 |
|
[SO4]C:1393 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
2 |
18195 |
52.9 |
-7.0 |
0.701 |
0 |
0 |
0 |
0.102 |
| 21 |
47 |
|
[FAD]C:410 |
5 |
1 |
994 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
18133 |
47.8 |
1.0 |
0.754 |
0 |
0 |
0 |
0.000 |
48 |
|
[FAD]E:410 |
4 |
1 |
992 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
17774 |
47.4 |
1.0 |
0.779 |
0 |
0 |
0 |
0.000 |
49 |
|
E |
4 |
2 |
17999 |
◊ |
[FAD]D:410 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
997 |
47.2 |
1.0 |
0.752 |
0 |
0 |
0 |
0.000 |
50 |
|
[FAD]F:410 |
5 |
1 |
997 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
18195 |
47.1 |
1.0 |
0.763 |
0 |
0 |
0 |
0.000 |
51 |
|
[FAD]A:410 |
5 |
1 |
995 |
◊ |
B |
-x,-y,z |
2_555 |
4 |
2 |
18100 |
46.9 |
0.9 |
0.746 |
0 |
0 |
0 |
0.000 |
52 |
|
[FAD]B:410 |
4 |
1 |
995 |
◊ |
A |
-x,-y,z |
2_555 |
4 |
2 |
17969 |
45.9 |
1.0 |
0.763 |
0 |
0 |
0 |
0.000 |
| Average: |
47.0 |
1.0 |
0.759 |
0 |
0 |
0 |
0.000 |
| 22 |
53 |
|
[SO4]C:1393 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
17999 |
46.9 |
-5.1 |
0.865 |
2 |
0 |
0 |
0.074 |
| 23 |
54 |
|
D |
7 |
4 |
17774 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
18100 |
44.4 |
1.8 |
0.898 |
1 |
1 |
0 |
0.000 |
| 24 |
55 |
|
[COA]B:411 |
7 |
1 |
918 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17969 |
37.7 |
-0.2 |
0.223 |
0 |
0 |
0 |
0.005 |
56 |
|
F |
3 |
1 |
18133 |
◊ |
[COA]D:411 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
926 |
37.3 |
-0.2 |
0.218 |
0 |
0 |
0 |
0.005 |
57 |
|
[COA]A:411 |
7 |
1 |
935 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18100 |
36.6 |
-0.2 |
0.224 |
0 |
0 |
0 |
0.005 |
58 |
|
[COA]E:411 |
8 |
1 |
929 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18195 |
35.4 |
-0.1 |
0.240 |
0 |
0 |
0 |
0.005 |
59 |
|
[COA]F:411 |
7 |
1 |
919 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
17774 |
33.5 |
-0.1 |
0.257 |
0 |
0 |
0 |
0.005 |
| Average: |
36.1 |
-0.2 |
0.233 |
0 |
0 |
0 |
0.005 |
| 25 |
60 |
|
A |
3 |
1 |
17969 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
18133 |
33.4 |
1.2 |
0.909 |
1 |
2 |
0 |
0.000 |
| 26 |
61 |
|
[SO4]C:1393 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
18100 |
25.4 |
-2.9 |
0.867 |
0 |
0 |
0 |
0.000 |
| 27 |
62 |
|
E |
3 |
1 |
17999 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
3 |
2 |
18100 |
21.5 |
0.7 |
0.833 |
0 |
0 |
0 |
0.000 |
| 28 |
63 |
|
[SIN]C:412 |
3 |
1 |
248 |
f |
[FAD]C:410 |
x,y,z |
1_555 |
7 |
1 |
994 |
18.9 |
-0.2 |
0.262 |
0 |
0 |
0 |
0.004 |
| 29 |
64 |
|
[COA]D:411 |
1 |
1 |
926 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18195 |
17.5 |
-0.8 |
0.287 |
0 |
0 |
0 |
0.000 |
| 30 |
65 |
|
E |
3 |
3 |
17999 |
◊ |
[COA]F:411 |
x-1/2,-y+1/2,-z-1 |
4_454 |
2 |
1 |
919 |
12.2 |
-0.7 |
0.325 |
0 |
0 |
0 |
0.000 |
| 31 |
66 |
|
[COA]A:411 |
3 |
1 |
935 |
◊ |
D |
-x,-y,z |
2_555 |
3 |
2 |
17774 |
9.1 |
-0.3 |
0.474 |
0 |
0 |
0 |
0.000 |
|