| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
C |
223 |
56 |
9061 |
◊ |
A |
x,y,z |
1_555 |
233 |
62 |
26249 |
2129.2 |
-14.3 |
0.076 |
33 |
12 |
0 |
0.325 |
2 |
|
A |
229 |
59 |
26249 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
9_765 |
228 |
59 |
26249 |
2078.7 |
-2.7 |
0.725 |
28 |
18 |
0 |
0.216 |
3 |
|
C |
163 |
44 |
9061 |
◊ |
B |
x,y,z |
1_555 |
170 |
46 |
13236 |
1589.3 |
-17.7 |
0.054 |
16 |
7 |
0 |
0.401 |
4 |
|
B |
88 |
25 |
13236 |
◊ |
A |
x,y,z |
1_555 |
115 |
32 |
26249 |
950.9 |
-5.5 |
0.330 |
10 |
9 |
0 |
0.079 |
5 |
|
[FAD]B:301 |
52 |
1 |
971 |
f |
B |
x,y,z |
1_555 |
93 |
39 |
13236 |
681.6 |
-9.0 |
0.339 |
19 |
0 |
0 |
0.270 |
6 |
|
[MCN]A:801 |
44 |
1 |
845 |
f |
A |
x,y,z |
1_555 |
88 |
34 |
26249 |
524.7 |
-11.1 |
0.320 |
22 |
0 |
0 |
0.507 |
7 |
|
[1PE]A:803 |
16 |
1 |
434 |
f |
A |
x,y,z |
1_555 |
46 |
18 |
26249 |
273.2 |
-1.5 |
0.497 |
0 |
0 |
0 |
0.036 |
8 |
|
A |
34 |
11 |
26249 |
◊ |
C |
x-y+1,x,z-1/6 |
6_654 |
33 |
11 |
9061 |
272.0 |
0.3 |
0.657 |
2 |
3 |
0 |
0.000 |
9 |
|
A |
28 |
12 |
26249 |
◊ |
A |
x,x-y,-z-1/6 |
12_554 |
28 |
12 |
26249 |
264.1 |
1.6 |
0.799 |
5 |
2 |
0 |
0.000 |
10 |
|
B |
30 |
9 |
13236 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
38 |
14 |
26249 |
264.1 |
-0.5 |
0.572 |
1 |
0 |
0 |
0.000 |
11 |
|
C |
30 |
11 |
9061 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
9_765 |
19 |
7 |
26249 |
205.4 |
0.9 |
0.535 |
1 |
0 |
0 |
0.000 |
12 |
|
[PG4]B:303 |
11 |
1 |
387 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
13236 |
157.4 |
4.4 |
0.378 |
1 |
0 |
0 |
0.000 |
13 |
|
C |
14 |
5 |
9061 |
◊ |
C |
-x+2,-x+y+1,-z+1/3 |
9_765 |
14 |
5 |
9061 |
138.5 |
-1.0 |
0.445 |
0 |
4 |
0 |
0.008 |
14 |
|
[PEG]B:302 |
7 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
13236 |
128.3 |
3.4 |
0.392 |
3 |
0 |
0 |
0.000 |
15 |
|
[FES]C:201 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
9061 |
116.3 |
-15.7 |
0.598 |
1 |
0 |
0 |
0.250 |
16 |
|
[PEG]C:203 |
7 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
9061 |
114.9 |
3.7 |
0.398 |
4 |
0 |
0 |
0.000 |
17 |
|
[PEG]B:304 |
7 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13236 |
114.5 |
4.3 |
0.373 |
2 |
0 |
0 |
0.000 |
18 |
|
[FES]C:202 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
19 |
12 |
9061 |
106.1 |
-13.2 |
0.498 |
2 |
0 |
0 |
0.218 |
19 |
|
[PEG]A:804 |
6 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
26249 |
103.0 |
2.8 |
0.368 |
2 |
0 |
0 |
0.000 |
20 |
|
A |
15 |
3 |
26249 |
◊ |
[PG4]B:303 |
x-y+1,x,z-1/6 |
6_654 |
7 |
1 |
387 |
85.7 |
1.3 |
0.293 |
0 |
0 |
0 |
0.000 |
21 |
|
[MO]A:802 |
1 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
20 |
13 |
26249 |
77.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.142 |
22 |
|
[PEG]C:203 |
5 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13236 |
73.4 |
2.6 |
0.313 |
1 |
0 |
0 |
0.000 |
23 |
|
A |
5 |
2 |
26249 |
◊ |
A |
-y+2,-x+2,-z+1/6 |
10_775 |
5 |
2 |
26249 |
70.1 |
1.8 |
0.913 |
2 |
4 |
0 |
0.000 |
24 |
|
[FAD]B:301 |
3 |
1 |
971 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
9061 |
66.2 |
-1.2 |
0.388 |
0 |
0 |
0 |
0.019 |
25 |
|
A |
11 |
5 |
26249 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
11 |
5 |
26249 |
64.8 |
-0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
6 |
2 |
26249 |
◊ |
B |
x-y+1,x,z-1/6 |
6_654 |
8 |
2 |
13236 |
63.3 |
0.4 |
0.711 |
1 |
0 |
0 |
0.000 |
27 |
|
[MCN]A:801 |
4 |
1 |
845 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
9061 |
56.5 |
0.5 |
0.580 |
1 |
0 |
0 |
0.000 |
28 |
|
[MO]A:802 |
1 |
1 |
163 |
f |
[MCN]A:801 |
x,y,z |
1_555 |
4 |
1 |
845 |
50.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.110 |
29 |
|
[FES]C:202 |
3 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
26249 |
48.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.043 |
30 |
|
[PEG]B:304 |
5 |
1 |
263 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
9061 |
25.9 |
0.7 |
0.217 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
3 |
1 |
13236 |
◊ |
A |
-y+1,x-y,z-1/3 |
2_654 |
1 |
1 |
26249 |
13.5 |
0.6 |
0.820 |
0 |
0 |
0 |
0.000 |
32 |
|
[FES]C:202 |
2 |
1 |
235 |
◊ |
[MCN]A:801 |
x,y,z |
1_555 |
2 |
1 |
845 |
9.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
33 |
|
A |
1 |
1 |
26249 |
f |
[PEG]B:304 |
x-y+1,x,z-1/6 |
6_654 |
1 |
1 |
263 |
8.7 |
0.4 |
0.518 |
0 |
0 |
0 |
0.000 |
34 |
|
[FES]C:201 |
2 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
13236 |
7.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
35 |
|
[FES]C:201 |
1 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
26249 |
5.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
36 |
|
[PEG]A:804 |
1 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
9061 |
4.3 |
0.3 |
0.490 |
0 |
0 |
0 |
0.000 |
37 |
|
[PG4]B:303 |
1 |
1 |
387 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
9061 |
3.4 |
0.2 |
0.478 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
1 |
1 |
13236 |
◊ |
[1PE]A:803 |
x-y,-y+1,-z |
8_565 |
1 |
1 |
434 |
1.6 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
|