## |
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 |
232 |
57 |
14256 |
◊ |
A |
x,y,z |
1_555 |
233 |
58 |
14065 |
2245.8 |
-16.2 |
0.148 |
37 |
26 |
0 |
0.385 |
2 |
2 |
|
[FAD]A:401 |
52 |
1 |
1010 |
f |
A |
x,y,z |
1_555 |
113 |
47 |
14065 |
751.5 |
-10.6 |
0.326 |
15 |
0 |
0 |
0.409 |
3 |
|
[FAD]B:401 |
52 |
1 |
1008 |
f |
B |
x,y,z |
1_555 |
113 |
48 |
14256 |
743.6 |
-10.5 |
0.284 |
16 |
0 |
0 |
0.409 |
Average: |
747.5 |
-10.6 |
0.305 |
16 |
0 |
0 |
0.409 |
3 |
4 |
|
A |
65 |
21 |
14065 |
◊ |
A |
y,x,-z+1 |
6_556 |
66 |
21 |
14065 |
563.9 |
-0.7 |
0.633 |
5 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
59 |
17 |
14065 |
◊ |
A |
-y+1,-x+1,-z+3/2 |
8_666 |
58 |
17 |
14065 |
547.6 |
2.1 |
0.810 |
12 |
4 |
0 |
0.000 |
5 |
6 |
|
I |
24 |
4 |
701 |
◊ |
A |
x,y,z |
1_555 |
54 |
19 |
14065 |
373.3 |
-8.0 |
0.390 |
2 |
0 |
0 |
0.190 |
6 |
7 |
|
H |
23 |
4 |
703 |
◊ |
B |
x,y,z |
1_555 |
52 |
21 |
14256 |
352.6 |
-8.5 |
0.194 |
2 |
0 |
0 |
0.217 |
7 |
8 |
|
B |
38 |
12 |
14256 |
x |
B |
-y+1/2,x-1/2,z-1/4 |
2_544 |
36 |
12 |
14256 |
337.4 |
1.6 |
0.716 |
4 |
1 |
0 |
0.000 |
8 |
9 |
|
B |
19 |
7 |
14256 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
26 |
5 |
14065 |
212.0 |
-0.9 |
0.499 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
I |
15 |
3 |
701 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
14256 |
197.1 |
-4.3 |
0.199 |
0 |
0 |
0 |
0.033 |
10 |
11 |
|
B |
25 |
9 |
14256 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
2_544 |
20 |
8 |
14065 |
177.8 |
1.5 |
0.775 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
H |
17 |
3 |
703 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
14065 |
170.2 |
-3.5 |
0.134 |
0 |
0 |
0 |
0.027 |
12 |
13 |
|
[EDO]A:403 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
14065 |
119.2 |
3.2 |
0.435 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[060]I:3 |
5 |
1 |
273 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
14065 |
106.0 |
-2.3 |
0.339 |
0 |
0 |
0 |
0.050 |
15 |
|
[060]H:3 |
5 |
1 |
271 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
14256 |
94.8 |
-2.1 |
0.383 |
0 |
0 |
0 |
0.050 |
Average: |
100.4 |
-2.2 |
0.361 |
0 |
0 |
0 |
0.050 |
14 |
16 |
|
[060]I:3 |
6 |
1 |
273 |
cf |
I |
x,y,z |
1_555 |
11 |
3 |
701 |
104.5 |
-1.7 |
0.828 |
1 |
0 |
0 |
0.100 |
15 |
17 |
|
[GOL]B:405 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
14256 |
95.3 |
-1.3 |
0.309 |
1 |
0 |
0 |
0.041 |
16 |
18 |
|
[060]H:3 |
7 |
1 |
271 |
cf |
H |
x,y,z |
1_555 |
11 |
3 |
703 |
93.8 |
-1.6 |
0.849 |
1 |
0 |
0 |
0.100 |
17 |
19 |
|
B |
13 |
3 |
14256 |
◊ |
H |
-y+1/2,x-1/2,z-1/4 |
2_544 |
10 |
4 |
703 |
90.5 |
-1.4 |
0.496 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[PO4]A:405 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
14065 |
88.6 |
-5.3 |
0.853 |
4 |
0 |
0 |
0.151 |
19 |
21 |
|
[EDO]B:403 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
14256 |
78.7 |
1.8 |
0.247 |
2 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]B:403 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
14065 |
76.4 |
2.0 |
0.259 |
2 |
0 |
0 |
0.000 |
21 |
23 |
|
[EDO]A:404 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
14065 |
68.1 |
2.4 |
0.399 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[EDO]B:404 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14256 |
66.7 |
1.6 |
0.226 |
1 |
0 |
0 |
0.000 |
23 |
25 |
|
B |
8 |
4 |
14256 |
◊ |
[GOL]B:405 |
-y+1/2,x-1/2,z-1/4 |
2_544 |
4 |
1 |
222 |
61.6 |
-0.3 |
0.369 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14065 |
58.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.203 |
27 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14256 |
58.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.203 |
Average: |
58.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.203 |
25 |
28 |
|
[EDO]A:404 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
14256 |
47.3 |
1.3 |
0.781 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[EDO]B:404 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14065 |
46.7 |
1.1 |
0.760 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
B |
6 |
3 |
14256 |
◊ |
[060]H:3 |
-y+1/2,x-1/2,z-1/4 |
2_544 |
4 |
1 |
271 |
38.6 |
-0.3 |
0.698 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
[FAD]B:401 |
x,y,z |
1_555 |
10 |
1 |
1008 |
35.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.085 |
32 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
[FAD]A:401 |
x,y,z |
1_555 |
10 |
1 |
1010 |
34.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
34.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.085 |
29 |
33 |
|
[060]H:3 |
1 |
1 |
271 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14065 |
2.9 |
-0.2 |
0.462 |
0 |
0 |
0 |
0.002 |
34 |
|
[060]I:3 |
2 |
1 |
273 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14256 |
0.5 |
-0.0 |
0.677 |
0 |
0 |
0 |
0.002 |
Average: |
1.7 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.002 |
|