## |
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 |
219 |
56 |
13005 |
◊ |
A |
x,y,z |
1_555 |
216 |
55 |
13111 |
2132.4 |
-31.0 |
0.046 |
18 |
2 |
0 |
0.247 |
2 |
2 |
|
B |
59 |
18 |
13005 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
48 |
14 |
13111 |
509.1 |
-2.6 |
0.663 |
5 |
0 |
0 |
0.000 |
3 |
3 |
|
[FMN]B:401 |
31 |
1 |
595 |
f |
B |
x,y,z |
1_555 |
67 |
31 |
13005 |
407.7 |
-4.5 |
0.631 |
18 |
0 |
0 |
0.157 |
4 |
|
[FMN]A:401 |
31 |
1 |
594 |
f |
A |
x,y,z |
1_555 |
64 |
31 |
13111 |
407.2 |
-4.5 |
0.621 |
18 |
0 |
0 |
0.157 |
Average: |
407.4 |
-4.5 |
0.626 |
18 |
0 |
0 |
0.157 |
4 |
5 |
|
A |
29 |
7 |
13111 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
29 |
8 |
13005 |
264.7 |
0.8 |
0.842 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
32 |
10 |
13005 |
x |
B |
x-y,x,z+1/6 |
6_555 |
24 |
6 |
13005 |
232.5 |
1.5 |
0.861 |
3 |
2 |
0 |
0.000 |
7 |
|
A |
20 |
6 |
13111 |
x |
A |
x-y,x,z+1/6 |
6_555 |
29 |
10 |
13111 |
229.8 |
1.8 |
0.856 |
5 |
2 |
0 |
0.000 |
Average: |
231.1 |
1.6 |
0.859 |
4 |
2 |
0 |
0.000 |
6 |
8 |
|
A |
24 |
7 |
13111 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
8 |
13005 |
223.0 |
-4.6 |
0.171 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[ORO]B:402 |
11 |
1 |
283 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
13005 |
139.9 |
2.4 |
0.522 |
10 |
0 |
0 |
0.028 |
10 |
|
[ORO]A:402 |
11 |
1 |
285 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
13111 |
139.3 |
2.5 |
0.508 |
11 |
0 |
0 |
0.028 |
Average: |
139.6 |
2.5 |
0.515 |
11 |
0 |
0 |
0.028 |
8 |
11 |
|
[GOL]A:405 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
13111 |
110.8 |
0.1 |
0.619 |
4 |
0 |
0 |
0.010 |
9 |
12 |
|
[GOL]A:404 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
13005 |
110.1 |
-0.3 |
0.584 |
2 |
0 |
0 |
0.008 |
10 |
13 |
|
[SO4]B:404 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
13005 |
92.8 |
-11.5 |
0.918 |
4 |
0 |
0 |
0.084 |
11 |
14 |
|
[SO4]A:408 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
13111 |
92.4 |
-13.5 |
0.673 |
0 |
0 |
0 |
0.085 |
12 |
15 |
|
[SO4]B:406 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
13005 |
92.4 |
-13.5 |
0.665 |
0 |
0 |
0 |
0.085 |
13 |
16 |
|
[GOL]B:403 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
13005 |
91.7 |
-0.5 |
0.533 |
0 |
0 |
0 |
0.011 |
17 |
|
[GOL]A:403 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
13111 |
90.6 |
-0.3 |
0.612 |
2 |
0 |
0 |
0.011 |
Average: |
91.1 |
-0.4 |
0.573 |
1 |
0 |
0 |
0.011 |
14 |
18 |
|
[SO4]A:406 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13111 |
77.8 |
-9.5 |
0.936 |
3 |
0 |
0 |
0.068 |
15 |
19 |
|
[ORO]A:402 |
10 |
1 |
285 |
f |
[FMN]A:401 |
x,y,z |
1_555 |
18 |
1 |
594 |
72.5 |
2.3 |
0.283 |
0 |
0 |
0 |
0.000 |
20 |
|
[ORO]B:402 |
10 |
1 |
283 |
f |
[FMN]B:401 |
x,y,z |
1_555 |
16 |
1 |
595 |
72.1 |
2.2 |
0.300 |
0 |
0 |
0 |
0.000 |
Average: |
72.3 |
2.2 |
0.291 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[GOL]A:404 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13111 |
72.3 |
-0.4 |
0.479 |
2 |
0 |
0 |
0.008 |
17 |
22 |
|
[SO4]B:405 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
13005 |
72.1 |
-8.2 |
0.964 |
5 |
0 |
0 |
0.066 |
18 |
23 |
|
[SO4]A:407 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13111 |
70.6 |
-7.8 |
0.965 |
3 |
0 |
0 |
0.058 |
19 |
24 |
|
[GOL]A:405 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13005 |
69.7 |
-0.5 |
0.511 |
3 |
0 |
0 |
0.011 |
20 |
25 |
|
[GOL]A:403 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
13005 |
66.7 |
-1.2 |
0.317 |
0 |
0 |
0 |
0.009 |
26 |
|
[GOL]B:403 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
13111 |
62.3 |
-0.3 |
0.449 |
0 |
0 |
0 |
0.009 |
Average: |
64.5 |
-0.7 |
0.383 |
0 |
0 |
0 |
0.009 |
21 |
27 |
|
[NI]B:407 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
13111 |
50.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.059 |
28 |
|
[NI]B:407 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
13005 |
27.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
39.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.059 |
22 |
29 |
|
[SO4]B:406 |
4 |
1 |
187 |
f |
[GOL]B:403 |
x,y,z |
1_555 |
3 |
1 |
219 |
40.6 |
-4.8 |
0.676 |
0 |
0 |
0 |
0.031 |
23 |
30 |
|
[SO4]A:408 |
4 |
1 |
185 |
f |
[GOL]A:403 |
x,y,z |
1_555 |
2 |
1 |
218 |
37.8 |
-4.3 |
0.763 |
1 |
0 |
0 |
0.030 |
24 |
31 |
|
[SO4]B:405 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13111 |
19.7 |
-2.8 |
0.440 |
0 |
0 |
0 |
0.018 |
25 |
32 |
|
A |
1 |
1 |
13111 |
◊ |
[SO4]A:408 |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
185 |
19.5 |
-1.5 |
0.979 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[SO4]B:406 |
4 |
1 |
187 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
13005 |
18.9 |
-1.4 |
0.977 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[SO4]A:407 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13005 |
18.1 |
-2.5 |
0.449 |
0 |
0 |
0 |
0.016 |
28 |
35 |
|
[SO4]B:404 |
2 |
1 |
187 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
4 |
2 |
13111 |
17.8 |
-2.1 |
0.876 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
B |
3 |
3 |
13005 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
3 |
3 |
13111 |
7.7 |
0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
B |
1 |
1 |
13005 |
x |
B |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
13005 |
2.8 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
|