## |
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 |
|
[FAD]B:501 |
53 |
1 |
1004 |
f |
B |
x,y,z |
1_555 |
101 |
43 |
20749 |
689.2 |
-7.3 |
0.489 |
11 |
0 |
0 |
0.035 |
2 |
|
[FAD]A:501 |
52 |
1 |
1006 |
f |
A |
x,y,z |
1_555 |
100 |
43 |
20523 |
684.6 |
-7.7 |
0.462 |
10 |
0 |
0 |
0.035 |
Average: |
686.9 |
-7.5 |
0.475 |
11 |
0 |
0 |
0.035 |
2 |
3 |
|
B |
55 |
14 |
20749 |
◊ |
A |
x,y,z |
1_555 |
55 |
21 |
20523 |
553.5 |
-2.6 |
0.364 |
5 |
5 |
0 |
0.000 |
4 |
|
B |
56 |
21 |
20749 |
◊ |
A |
x,y-1,z |
1_545 |
46 |
13 |
20523 |
498.7 |
-2.0 |
0.474 |
0 |
3 |
0 |
0.000 |
Average: |
526.1 |
-2.3 |
0.419 |
3 |
4 |
0 |
0.000 |
3 |
5 |
|
B |
53 |
18 |
20749 |
x |
B |
-x+3,y-1/2,-z+2 |
2_847 |
58 |
18 |
20749 |
496.6 |
-3.5 |
0.367 |
2 |
2 |
0 |
0.000 |
6 |
|
A |
42 |
14 |
20523 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
16 |
20523 |
398.9 |
-4.4 |
0.227 |
1 |
0 |
0 |
0.000 |
Average: |
447.8 |
-3.9 |
0.297 |
2 |
1 |
0 |
0.000 |
4 |
7 |
|
A |
37 |
14 |
20523 |
x |
A |
x,y-1,z |
1_545 |
35 |
12 |
20523 |
297.5 |
1.1 |
0.776 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
24 |
8 |
20749 |
x |
B |
x,y-1,z |
1_545 |
23 |
10 |
20749 |
172.4 |
-0.1 |
0.620 |
1 |
0 |
0 |
0.000 |
Average: |
234.9 |
0.5 |
0.698 |
1 |
0 |
0 |
0.000 |
5 |
9 |
|
A |
34 |
9 |
20523 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
10 |
20749 |
278.9 |
-3.8 |
0.191 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
[E0Q]A:504 |
18 |
1 |
416 |
f |
A |
x,y,z |
1_555 |
41 |
18 |
20523 |
276.9 |
-13.5 |
0.366 |
5 |
0 |
0 |
0.045 |
11 |
|
[E0Q]B:507 |
18 |
1 |
410 |
f |
B |
x,y,z |
1_555 |
42 |
18 |
20749 |
275.4 |
-14.1 |
0.369 |
4 |
0 |
0 |
0.045 |
Average: |
276.1 |
-13.8 |
0.367 |
5 |
0 |
0 |
0.045 |
7 |
12 |
|
B |
27 |
6 |
20749 |
x |
B |
-x+2,y-1/2,-z+2 |
2_747 |
25 |
7 |
20749 |
237.0 |
2.3 |
0.774 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
26 |
6 |
20523 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
26 |
7 |
20523 |
229.2 |
1.8 |
0.768 |
1 |
0 |
0 |
0.000 |
Average: |
233.1 |
2.1 |
0.771 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
[PEG]B:505 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
20749 |
153.4 |
4.4 |
0.473 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[PEG]B:503 |
7 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
20749 |
148.5 |
2.8 |
0.306 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[PEG]A:503 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
20523 |
146.4 |
2.4 |
0.279 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[PEG]B:506 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
20749 |
136.8 |
2.7 |
0.320 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
A |
12 |
5 |
20523 |
◊ |
B |
x-1,y+1,z |
1_465 |
16 |
5 |
20749 |
132.2 |
-2.3 |
0.202 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[PEG]B:504 |
7 |
1 |
255 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
20749 |
125.4 |
3.8 |
0.431 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[PEG]B:503 |
6 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20523 |
73.7 |
1.2 |
0.218 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
B |
11 |
4 |
20749 |
f |
[PEG]A:503 |
x,y-1,z |
1_545 |
7 |
1 |
261 |
72.5 |
1.0 |
0.163 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
20523 |
55.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.023 |
23 |
|
[CL]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
20749 |
54.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
54.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.023 |
17 |
24 |
|
A |
7 |
3 |
20523 |
f |
[PEG]B:506 |
x-1,y,z |
1_455 |
5 |
1 |
257 |
51.1 |
1.4 |
0.302 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[E0Q]A:504 |
3 |
1 |
416 |
f |
[FAD]A:501 |
x,y,z |
1_555 |
8 |
1 |
1006 |
49.2 |
-0.9 |
0.623 |
0 |
0 |
0 |
0.002 |
26 |
|
[E0Q]B:507 |
4 |
1 |
410 |
f |
[FAD]B:501 |
x,y,z |
1_555 |
8 |
1 |
1004 |
47.0 |
-0.8 |
0.732 |
0 |
0 |
0 |
0.002 |
Average: |
48.1 |
-0.9 |
0.678 |
0 |
0 |
0 |
0.002 |
19 |
27 |
|
[CL]B:502 |
1 |
1 |
125 |
f |
[FAD]B:501 |
x,y,z |
1_555 |
12 |
1 |
1004 |
37.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.010 |
28 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
[FAD]A:501 |
x,y,z |
1_555 |
12 |
1 |
1006 |
36.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
37.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.010 |
20 |
29 |
|
[PEG]B:504 |
4 |
1 |
255 |
f |
B |
-x+3,y-1/2,-z+2 |
2_847 |
4 |
1 |
20749 |
37.3 |
0.7 |
0.219 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[E0Q]A:504 |
3 |
1 |
416 |
f |
[CL]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
31 |
|
[E0Q]B:507 |
3 |
1 |
410 |
f |
[CL]B:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
4.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
22 |
32 |
|
[E0Q]B:507 |
1 |
1 |
410 |
f |
[PEG]B:505 |
x,y,z |
1_555 |
1 |
1 |
260 |
0.8 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
|