## |
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 |
|
D |
347 |
82 |
11820 |
◊ |
C |
x,y,z |
1_555 |
342 |
81 |
11734 |
3273.1 |
-45.9 |
0.110 |
45 |
19 |
0 |
0.575 |
2 |
|
B |
345 |
81 |
11733 |
◊ |
A |
x,y,z |
1_555 |
341 |
82 |
11776 |
3247.4 |
-44.0 |
0.132 |
47 |
19 |
0 |
0.575 |
Average: |
3260.3 |
-45.0 |
0.121 |
46 |
19 |
0 |
0.575 |
2 |
3 |
|
A |
42 |
13 |
11776 |
◊ |
C |
x,y,z-1 |
1_554 |
36 |
12 |
11734 |
376.9 |
2.4 |
0.919 |
3 |
8 |
0 |
0.000 |
3 |
4 |
|
D |
34 |
11 |
11820 |
x |
D |
x-1,y,z |
1_455 |
32 |
8 |
11820 |
331.2 |
-3.0 |
0.519 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
33 |
8 |
11733 |
x |
B |
x-1,y,z |
1_455 |
37 |
11 |
11733 |
327.6 |
-3.0 |
0.539 |
1 |
0 |
0 |
0.000 |
Average: |
329.4 |
-3.0 |
0.529 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
[FMN]C:500 |
28 |
1 |
615 |
f |
C |
x,y,z |
1_555 |
43 |
16 |
11734 |
279.7 |
-2.5 |
0.693 |
16 |
0 |
0 |
0.162 |
7 |
|
[FMN]D:500 |
28 |
1 |
624 |
f |
D |
x,y,z |
1_555 |
40 |
16 |
11820 |
279.3 |
-3.0 |
0.663 |
15 |
0 |
0 |
0.162 |
8 |
|
[FMN]B:500 |
28 |
1 |
618 |
f |
B |
x,y,z |
1_555 |
43 |
16 |
11733 |
278.9 |
-3.1 |
0.666 |
15 |
0 |
0 |
0.162 |
9 |
|
[FMN]A:500 |
28 |
1 |
618 |
f |
A |
x,y,z |
1_555 |
43 |
16 |
11776 |
278.9 |
-3.4 |
0.641 |
16 |
0 |
0 |
0.162 |
Average: |
279.2 |
-3.0 |
0.666 |
16 |
0 |
0 |
0.162 |
5 |
10 |
|
C |
24 |
8 |
11734 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
11776 |
209.9 |
-1.9 |
0.397 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
B |
27 |
6 |
11733 |
◊ |
A |
x-1,y+1,z |
1_465 |
25 |
6 |
11776 |
205.7 |
-0.8 |
0.700 |
4 |
0 |
0 |
0.000 |
12 |
|
C |
25 |
6 |
11734 |
◊ |
D |
x,y-1,z |
1_545 |
26 |
6 |
11820 |
203.2 |
-0.6 |
0.716 |
4 |
0 |
0 |
0.000 |
Average: |
204.4 |
-0.7 |
0.708 |
4 |
0 |
0 |
0.000 |
7 |
13 |
|
[FMN]D:500 |
21 |
1 |
624 |
◊ |
C |
x,y,z |
1_555 |
24 |
10 |
11734 |
175.7 |
-2.8 |
0.512 |
1 |
0 |
0 |
0.052 |
14 |
|
[FMN]B:500 |
21 |
1 |
618 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
11776 |
174.1 |
-2.7 |
0.508 |
1 |
0 |
0 |
0.052 |
15 |
|
[FMN]A:500 |
22 |
1 |
618 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
11733 |
174.1 |
-2.6 |
0.535 |
1 |
0 |
0 |
0.052 |
16 |
|
[FMN]C:500 |
21 |
1 |
615 |
◊ |
D |
x,y,z |
1_555 |
24 |
10 |
11820 |
173.3 |
-2.6 |
0.543 |
1 |
0 |
0 |
0.052 |
Average: |
174.3 |
-2.7 |
0.524 |
1 |
0 |
0 |
0.052 |
8 |
17 |
|
B |
20 |
7 |
11733 |
x |
B |
x-1,y+1,z |
1_465 |
10 |
5 |
11733 |
158.2 |
2.6 |
0.873 |
4 |
3 |
0 |
0.000 |
18 |
|
D |
10 |
5 |
11820 |
x |
D |
x,y-1,z |
1_545 |
19 |
7 |
11820 |
149.7 |
0.7 |
0.805 |
3 |
2 |
0 |
0.000 |
19 |
|
A |
12 |
5 |
11776 |
x |
A |
x-1,y+1,z |
1_465 |
18 |
6 |
11776 |
144.9 |
0.8 |
0.776 |
2 |
2 |
0 |
0.000 |
20 |
|
C |
17 |
6 |
11734 |
x |
C |
x,y-1,z |
1_545 |
12 |
5 |
11734 |
142.8 |
0.8 |
0.788 |
3 |
2 |
0 |
0.000 |
Average: |
148.9 |
1.2 |
0.810 |
3 |
2 |
0 |
0.000 |
9 |
21 |
|
[GOL]D:208 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
11820 |
136.0 |
0.0 |
0.669 |
7 |
0 |
0 |
0.026 |
22 |
|
[GOL]B:209 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
11733 |
134.5 |
0.0 |
0.673 |
6 |
0 |
0 |
0.026 |
Average: |
135.3 |
0.0 |
0.671 |
7 |
0 |
0 |
0.026 |
10 |
23 |
|
[GOL]B:206 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
11733 |
108.8 |
-1.1 |
0.488 |
2 |
0 |
0 |
0.016 |
11 |
24 |
|
[GOL]A:208 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
11776 |
105.6 |
-0.2 |
0.610 |
3 |
0 |
0 |
0.012 |
12 |
25 |
|
[GOL]C:206 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11734 |
92.4 |
-0.1 |
0.666 |
4 |
0 |
0 |
0.016 |
13 |
26 |
|
[GOL]D:207 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
11820 |
91.4 |
0.4 |
0.678 |
4 |
0 |
0 |
0.011 |
14 |
27 |
|
D |
8 |
3 |
11820 |
◊ |
B |
x-1,y,z+1 |
1_456 |
8 |
3 |
11733 |
90.9 |
-1.3 |
0.371 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
[GOL]B:207 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11733 |
89.4 |
0.3 |
0.687 |
3 |
0 |
0 |
0.008 |
16 |
29 |
|
[GOL]C:208 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
11734 |
83.1 |
0.7 |
0.640 |
2 |
0 |
0 |
0.002 |
17 |
30 |
|
[GOL]A:209 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11776 |
82.7 |
0.1 |
0.643 |
4 |
0 |
0 |
0.013 |
18 |
31 |
|
[GOL]A:207 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
11776 |
78.8 |
-0.2 |
0.579 |
3 |
0 |
0 |
0.012 |
19 |
32 |
|
D |
9 |
4 |
11820 |
◊ |
C |
x,y-1,z |
1_545 |
7 |
4 |
11734 |
76.1 |
0.4 |
0.747 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
8 |
4 |
11776 |
◊ |
B |
x-1,y+1,z |
1_465 |
8 |
5 |
11733 |
67.3 |
0.2 |
0.754 |
0 |
0 |
0 |
0.000 |
Average: |
71.7 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
[GOL]D:209 |
6 |
1 |
221 |
f |
[FMN]C:500 |
x,y,z |
1_555 |
15 |
1 |
615 |
76.1 |
0.5 |
0.766 |
3 |
0 |
0 |
0.007 |
21 |
35 |
|
[GOL]A:210 |
6 |
1 |
219 |
f |
[FMN]B:500 |
x,y,z |
1_555 |
15 |
1 |
618 |
75.4 |
0.1 |
0.694 |
3 |
0 |
0 |
0.010 |
22 |
36 |
|
[GOL]B:208 |
6 |
1 |
218 |
f |
[FMN]A:500 |
x,y,z |
1_555 |
15 |
1 |
618 |
73.9 |
0.0 |
0.691 |
3 |
0 |
0 |
0.010 |
23 |
37 |
|
[GOL]C:207 |
5 |
1 |
218 |
f |
[FMN]D:500 |
x,y,z |
1_555 |
14 |
1 |
624 |
73.5 |
-0.3 |
0.622 |
1 |
0 |
0 |
0.006 |
24 |
38 |
|
C |
5 |
2 |
11734 |
x |
C |
x-1,y,z |
1_455 |
10 |
3 |
11734 |
71.8 |
-2.3 |
0.121 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
7 |
3 |
11776 |
x |
A |
x-1,y,z |
1_455 |
6 |
2 |
11776 |
62.1 |
-1.7 |
0.217 |
0 |
0 |
0 |
0.000 |
Average: |
66.9 |
-2.0 |
0.169 |
0 |
0 |
0 |
0.000 |
25 |
40 |
|
[GOL]C:206 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11776 |
67.9 |
-0.3 |
0.647 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
[GOL]C:208 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
11820 |
66.5 |
-1.1 |
0.353 |
0 |
0 |
0 |
0.009 |
27 |
42 |
|
[SO4]A:206 |
5 |
1 |
183 |
f |
B |
x-1,y+1,z |
1_465 |
10 |
5 |
11733 |
65.9 |
-9.7 |
0.802 |
2 |
0 |
0 |
0.083 |
28 |
43 |
|
[GOL]D:209 |
6 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
11820 |
64.8 |
-0.0 |
0.668 |
1 |
0 |
0 |
0.005 |
44 |
|
[GOL]A:210 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11776 |
62.0 |
0.3 |
0.687 |
2 |
0 |
0 |
0.005 |
Average: |
63.4 |
0.1 |
0.677 |
2 |
0 |
0 |
0.005 |
29 |
45 |
|
[SO4]D:206 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
11820 |
64.5 |
-9.3 |
0.821 |
2 |
0 |
0 |
0.085 |
30 |
46 |
|
D |
5 |
3 |
11820 |
◊ |
A |
x-1,y,z+1 |
1_456 |
7 |
3 |
11776 |
62.5 |
-0.1 |
0.487 |
1 |
0 |
0 |
0.000 |
47 |
|
C |
3 |
2 |
11734 |
◊ |
B |
x-1,y,z+1 |
1_456 |
5 |
3 |
11733 |
39.5 |
-0.0 |
0.452 |
0 |
0 |
0 |
0.000 |
Average: |
51.0 |
-0.0 |
0.469 |
1 |
0 |
0 |
0.000 |
31 |
48 |
|
[GOL]B:208 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11733 |
62.3 |
0.4 |
0.709 |
2 |
0 |
0 |
0.004 |
32 |
49 |
|
[GOL]A:209 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
11733 |
60.3 |
-1.0 |
0.380 |
0 |
0 |
0 |
0.008 |
33 |
50 |
|
[GOL]C:207 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11734 |
55.4 |
0.1 |
0.619 |
1 |
0 |
0 |
0.003 |
34 |
51 |
|
[GOL]A:208 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
11734 |
54.6 |
-0.2 |
0.572 |
1 |
0 |
0 |
0.000 |
35 |
52 |
|
[SO4]D:206 |
5 |
1 |
184 |
◊ |
C |
x,y-1,z |
1_545 |
9 |
3 |
11734 |
53.8 |
-6.8 |
0.896 |
2 |
0 |
0 |
0.000 |
36 |
53 |
|
[SO4]A:206 |
5 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11776 |
51.7 |
-6.3 |
0.902 |
2 |
0 |
0 |
0.000 |
37 |
54 |
|
C |
3 |
2 |
11734 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11733 |
49.3 |
-0.7 |
0.278 |
0 |
0 |
0 |
0.000 |
38 |
55 |
|
[GOL]D:207 |
5 |
1 |
216 |
f |
[FMN]D:500 |
x,y,z |
1_555 |
6 |
1 |
624 |
48.9 |
-0.7 |
0.552 |
1 |
0 |
0 |
0.010 |
39 |
56 |
|
[GOL]B:207 |
5 |
1 |
215 |
f |
[FMN]B:500 |
x,y,z |
1_555 |
6 |
1 |
618 |
46.5 |
-0.6 |
0.502 |
1 |
0 |
0 |
0.009 |
40 |
57 |
|
[GOL]A:209 |
5 |
1 |
218 |
f |
[FMN]A:500 |
x,y,z |
1_555 |
7 |
1 |
618 |
45.7 |
-0.4 |
0.575 |
2 |
0 |
0 |
0.010 |
41 |
58 |
|
[GOL]C:208 |
4 |
1 |
220 |
f |
[FMN]C:500 |
x,y,z |
1_555 |
6 |
1 |
615 |
44.8 |
-0.5 |
0.548 |
2 |
0 |
0 |
0.011 |
42 |
59 |
|
[GOL]C:207 |
5 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
11820 |
44.6 |
0.5 |
0.679 |
0 |
0 |
0 |
0.000 |
43 |
60 |
|
[GOL]B:207 |
3 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11776 |
43.4 |
-0.6 |
0.513 |
0 |
0 |
0 |
0.005 |
44 |
61 |
|
[GOL]D:207 |
3 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11734 |
42.2 |
-0.6 |
0.507 |
0 |
0 |
0 |
0.005 |
45 |
62 |
|
[GOL]D:209 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
11734 |
42.1 |
0.7 |
0.711 |
0 |
0 |
0 |
0.000 |
46 |
63 |
|
[GOL]A:207 |
4 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
11734 |
40.7 |
0.9 |
0.766 |
2 |
0 |
0 |
0.000 |
47 |
64 |
|
[GOL]B:208 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11776 |
39.9 |
0.4 |
0.688 |
0 |
0 |
0 |
0.000 |
48 |
65 |
|
[GOL]A:210 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11733 |
38.7 |
0.6 |
0.744 |
1 |
0 |
0 |
0.000 |
49 |
66 |
|
[GOL]A:207 |
3 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
11733 |
38.2 |
-0.8 |
0.420 |
0 |
0 |
0 |
0.007 |
50 |
67 |
|
A |
4 |
2 |
11776 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
11733 |
32.6 |
1.1 |
0.870 |
1 |
1 |
0 |
0.000 |
68 |
|
D |
5 |
2 |
11820 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
11734 |
31.1 |
1.0 |
0.869 |
1 |
1 |
0 |
0.000 |
Average: |
31.8 |
1.1 |
0.870 |
1 |
1 |
0 |
0.000 |
51 |
69 |
|
[SO4]A:206 |
4 |
1 |
183 |
◊ |
A |
x-1,y+1,z |
1_465 |
3 |
1 |
11776 |
30.5 |
-3.3 |
0.928 |
0 |
0 |
0 |
0.026 |
52 |
70 |
|
[SO4]D:206 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11734 |
29.7 |
-3.2 |
0.926 |
0 |
0 |
0 |
0.027 |
53 |
71 |
|
A |
5 |
1 |
11776 |
◊ |
D |
x-1,y+1,z |
1_465 |
2 |
2 |
11820 |
28.2 |
-0.5 |
0.326 |
0 |
0 |
0 |
0.000 |
54 |
72 |
|
[GOL]C:206 |
3 |
1 |
219 |
◊ |
[GOL]A:208 |
x,y,z |
1_555 |
2 |
1 |
218 |
26.2 |
0.3 |
0.661 |
1 |
0 |
0 |
0.000 |
55 |
73 |
|
C |
1 |
1 |
11734 |
◊ |
D |
x-1,y+1,z |
1_465 |
2 |
1 |
11820 |
6.0 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
56 |
74 |
|
C |
2 |
2 |
11734 |
◊ |
A |
x-1,y,z+1 |
1_456 |
1 |
1 |
11776 |
5.6 |
-0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
57 |
75 |
|
B |
1 |
1 |
11733 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
11776 |
5.0 |
-0.2 |
0.367 |
0 |
0 |
0 |
0.000 |
76 |
|
C |
2 |
1 |
11734 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
11820 |
2.5 |
-0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
Average: |
3.7 |
-0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
58 |
77 |
|
[SO4]D:206 |
2 |
1 |
184 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
11820 |
3.5 |
-0.4 |
0.856 |
0 |
0 |
0 |
0.000 |
59 |
78 |
|
[SO4]A:206 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11733 |
2.9 |
-0.3 |
0.879 |
0 |
0 |
0 |
0.000 |
|