Compounds

Docking Energy Kcal/mole

Hydrogen bonding Residues

Hydrogen Bond distances (Å)

Myricetin

−41

A:LYS111:HZ1 - 5281672:O5

A:LYS111:HZ3 - 5281672:O5

A:ALA162:HN -5281672:O8

5281672:H28-AGLU:OE2

5281672:H30-AASP223:OD1

5281672:H32 A:SER162:O

5281672:H33 A:SER162:O

2.44

2.19

2.34

2.31

2.09

2.14

1.98

CID_66574000

−42.8

A:LYS111:HZ3 - 66574000:O8

A:ALA162:HN - 66574000:F1

A:THR222:HG1 - 66574000:O7

66574000:H30 - A:GLU130:OE2

66574000:H31 - A:ASP223:OD1

1.89

2.31

2.24

2.33

2.45

CID_6677685

−35.6

A:LYS111:HZ2 - 6477685:O6

A:LYS111:HZ3 - 6477685:O6

A:ALA162:HN - 6477685:O4

6477685:H32 - A:ALA162:O

6477685:H34 - A:GLU130:OE2

6477685:H35 - A:ASP223:OD1

2.47

2.10

2.39

1.97

2.22

2.03

CID_6677684

−37.90

A:LYS111:HZ2 - 6477684:O5

A:LYS111:HZ3 - 6477684:O5

A:ALA162:HN - 6477684:O2

6477684:H33 - A:GLU130:OE2

6477684:H34 - A:ASP223:OD1

2.37

2.12

2.14

2.09

2.03

CID_57402278

−38.17

A:LYS111:HZ3 - 57402278:O4

A:ALA162:HN - 57402278:O7

57402278:H39 - A:GLU90:O

57402278:H41 - A:SER160:O

1.77

2.33

2.48

1.92

CID_5322065

−38.98

A:LYS111:HZ3 - 5322065:O3

A:ALA162:HN - 5322065:O5

5322065:H28 - A:ASP223:OD1

5322065:H29 - A:SER160:O

5322065:H30 - A:SER160:O

2.16

1.89

2.04

1.90

2.05