## |
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 |
178 |
49 |
16400 |
◊ |
A |
x,y,z |
1_555 |
185 |
51 |
16267 |
1634.9 |
-25.2 |
0.010 |
8 |
4 |
0 |
0.000 |
2 |
|
D |
183 |
50 |
16417 |
◊ |
C |
x,y,z |
1_555 |
178 |
48 |
16540 |
1620.1 |
-23.3 |
0.015 |
6 |
4 |
0 |
0.000 |
Average: |
1627.5 |
-24.3 |
0.012 |
7 |
4 |
0 |
0.000 |
2 |
3 |
|
C |
115 |
36 |
16540 |
◊ |
A |
-x+3/2,y-1/2,-z-5/4 |
5_643 |
119 |
35 |
16267 |
1063.7 |
-7.8 |
0.335 |
14 |
5 |
0 |
0.094 |
4 |
|
D |
118 |
36 |
16417 |
◊ |
B |
-x+3/2,y-1/2,-z-5/4 |
5_643 |
111 |
33 |
16400 |
1044.6 |
-4.5 |
0.523 |
13 |
4 |
0 |
0.094 |
Average: |
1054.1 |
-6.1 |
0.429 |
14 |
5 |
0 |
0.094 |
3 |
5 |
|
C |
67 |
21 |
16540 |
◊ |
D |
-y+1/2,x-1/2,z-1/4 |
3_544 |
70 |
22 |
16417 |
595.2 |
-2.9 |
0.490 |
12 |
1 |
0 |
0.000 |
4 |
6 |
|
[FMN]A:701 |
31 |
1 |
651 |
f |
A |
x,y,z |
1_555 |
55 |
18 |
16267 |
394.2 |
-6.9 |
0.449 |
18 |
0 |
0 |
0.254 |
7 |
|
[FMN]D:704 |
31 |
1 |
648 |
f |
D |
x,y,z |
1_555 |
59 |
18 |
16417 |
393.2 |
-6.9 |
0.411 |
18 |
0 |
0 |
0.254 |
8 |
|
[FMN]C:703 |
31 |
1 |
643 |
f |
C |
x,y,z |
1_555 |
57 |
17 |
16540 |
392.3 |
-7.4 |
0.405 |
17 |
0 |
0 |
0.254 |
9 |
|
[FMN]B:702 |
31 |
1 |
646 |
f |
B |
x,y,z |
1_555 |
51 |
16 |
16400 |
388.2 |
-6.8 |
0.444 |
17 |
0 |
0 |
0.254 |
Average: |
392.0 |
-7.0 |
0.427 |
18 |
0 |
0 |
0.254 |
5 |
10 |
|
D |
41 |
11 |
16417 |
◊ |
A |
x,y,z |
1_555 |
42 |
10 |
16267 |
361.8 |
-1.0 |
0.529 |
5 |
2 |
0 |
0.000 |
6 |
11 |
|
C |
19 |
7 |
16540 |
◊ |
C |
-y+1,-x+1,-z-3/2 |
8_663 |
19 |
7 |
16540 |
182.0 |
0.8 |
0.744 |
2 |
2 |
0 |
0.000 |
7 |
12 |
|
D |
18 |
5 |
16417 |
◊ |
D |
y+1,x-1,-z-1 |
7_644 |
18 |
5 |
16417 |
177.3 |
0.8 |
0.752 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
[FMN]B:702 |
17 |
1 |
646 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
16267 |
128.7 |
-0.0 |
0.785 |
0 |
0 |
0 |
0.000 |
14 |
|
[FMN]A:701 |
16 |
1 |
651 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
16400 |
124.1 |
-0.9 |
0.696 |
0 |
0 |
0 |
0.000 |
15 |
|
[FMN]D:704 |
17 |
1 |
648 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
16540 |
122.3 |
-1.5 |
0.567 |
0 |
0 |
0 |
0.000 |
16 |
|
[FMN]C:703 |
15 |
1 |
643 |
◊ |
D |
x,y,z |
1_555 |
22 |
7 |
16417 |
115.7 |
-1.0 |
0.656 |
0 |
0 |
0 |
0.000 |
Average: |
122.7 |
-0.8 |
0.676 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
A |
12 |
5 |
16267 |
◊ |
B |
-x+3/2,y-1/2,-z-5/4 |
5_643 |
14 |
7 |
16400 |
114.7 |
-1.2 |
0.399 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
[FEO]B:510 |
3 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
16400 |
91.6 |
-15.9 |
0.293 |
1 |
0 |
0 |
0.142 |
11 |
19 |
|
[FEO]A:500 |
3 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
16267 |
91.2 |
-15.6 |
0.347 |
0 |
0 |
0 |
0.099 |
12 |
20 |
|
[FEO]C:520 |
3 |
1 |
209 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
16540 |
89.9 |
-15.8 |
0.320 |
0 |
0 |
0 |
0.100 |
13 |
21 |
|
[FEO]D:530 |
3 |
1 |
210 |
f |
D |
x,y,z |
1_555 |
9 |
8 |
16417 |
89.1 |
-15.7 |
0.272 |
0 |
0 |
0 |
0.136 |
14 |
22 |
|
C |
6 |
3 |
16540 |
◊ |
B |
-y+3/2,x-1/2,z-1/4 |
3_644 |
8 |
3 |
16400 |
61.4 |
1.0 |
0.767 |
1 |
1 |
0 |
0.000 |
15 |
23 |
|
[ZN]B:512 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
16400 |
55.7 |
-28.7 |
0.000 |
0 |
0 |
0 |
0.250 |
16 |
24 |
|
D |
9 |
2 |
16417 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
16400 |
51.5 |
-0.7 |
0.303 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[OXY]B:511 |
2 |
1 |
121 |
f |
B |
x,y,z |
1_555 |
14 |
10 |
16400 |
48.5 |
0.3 |
0.433 |
1 |
0 |
0 |
0.002 |
18 |
26 |
|
[OXY]A:501 |
2 |
1 |
122 |
f |
A |
x,y,z |
1_555 |
11 |
9 |
16267 |
47.6 |
0.5 |
0.460 |
2 |
0 |
0 |
0.003 |
19 |
27 |
|
[OXY]C:521 |
2 |
1 |
122 |
f |
C |
x,y,z |
1_555 |
12 |
9 |
16540 |
47.5 |
0.3 |
0.390 |
2 |
0 |
0 |
0.004 |
20 |
28 |
|
[OXY]D:531 |
2 |
1 |
119 |
f |
D |
x,y,z |
1_555 |
11 |
10 |
16417 |
44.0 |
-0.8 |
0.102 |
2 |
0 |
0 |
0.015 |
21 |
29 |
|
D |
4 |
2 |
16417 |
◊ |
C |
-x+3/2,y-1/2,-z-5/4 |
5_643 |
11 |
3 |
16540 |
40.2 |
-0.4 |
0.412 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[ZN]A:502 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
16267 |
39.2 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.247 |
31 |
|
C |
4 |
2 |
16540 |
f |
[ZN]A:503 |
-x+3/2,y-1/2,-z-5/4 |
5_643 |
1 |
1 |
98 |
37.1 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.247 |
Average: |
38.1 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.247 |
23 |
32 |
|
[ZN]A:503 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
16267 |
38.3 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.241 |
33 |
|
C |
5 |
2 |
16540 |
◊ |
[ZN]A:502 |
-x+3/2,y-1/2,-z-5/4 |
5_643 |
1 |
1 |
98 |
36.0 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.241 |
Average: |
37.1 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.241 |
24 |
34 |
|
[OXY]D:531 |
2 |
1 |
119 |
f |
[FEO]D:530 |
x,y,z |
1_555 |
3 |
1 |
210 |
33.8 |
-1.8 |
0.981 |
0 |
0 |
0 |
0.016 |
25 |
35 |
|
[OXY]A:501 |
2 |
1 |
122 |
f |
[FEO]A:500 |
x,y,z |
1_555 |
3 |
1 |
209 |
30.6 |
-1.7 |
0.981 |
0 |
0 |
0 |
0.011 |
26 |
36 |
|
[OXY]C:521 |
2 |
1 |
122 |
f |
[FEO]C:520 |
x,y,z |
1_555 |
3 |
1 |
209 |
30.5 |
-2.1 |
0.981 |
0 |
0 |
0 |
0.013 |
27 |
37 |
|
[OXY]B:511 |
2 |
1 |
121 |
f |
[FEO]B:510 |
x,y,z |
1_555 |
3 |
1 |
210 |
30.5 |
-1.4 |
0.981 |
0 |
0 |
0 |
0.012 |
28 |
38 |
|
D |
3 |
2 |
16417 |
◊ |
[ZN]B:512 |
-x+3/2,y-1/2,-z-5/4 |
5_643 |
1 |
1 |
98 |
21.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.080 |
29 |
39 |
|
[FMN]A:701 |
1 |
1 |
651 |
◊ |
[FEO]B:510 |
x,y,z |
1_555 |
1 |
1 |
210 |
7.6 |
-0.9 |
0.568 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[FMN]C:703 |
1 |
1 |
643 |
◊ |
[FEO]D:530 |
x,y,z |
1_555 |
1 |
1 |
210 |
6.6 |
-0.7 |
0.568 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[FMN]B:702 |
1 |
1 |
646 |
◊ |
[FEO]A:500 |
x,y,z |
1_555 |
1 |
1 |
209 |
6.6 |
-0.7 |
0.568 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[FMN]D:704 |
1 |
1 |
648 |
◊ |
[FEO]C:520 |
x,y,z |
1_555 |
1 |
1 |
209 |
6.6 |
-0.7 |
0.568 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[FEO]D:530 |
1 |
1 |
210 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16540 |
4.6 |
-0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[FEO]A:500 |
1 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16400 |
4.0 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[FEO]B:510 |
1 |
1 |
210 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16267 |
3.3 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[FEO]C:520 |
1 |
1 |
209 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16417 |
3.1 |
-0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[FMN]D:704 |
2 |
1 |
648 |
◊ |
[OXY]C:521 |
x,y,z |
1_555 |
1 |
1 |
122 |
2.6 |
-0.0 |
0.715 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[FMN]B:702 |
1 |
1 |
646 |
◊ |
[OXY]A:501 |
x,y,z |
1_555 |
1 |
1 |
122 |
1.2 |
-0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
|