Ligand

Binding Affinity (kcal/mol)

Receptor Interaction

Distance (A)

Ascorbic Acid

-6.6

SER A:248/Hydrogen

4.29

SER A:80/Hydrogen

4.37

ASP A:62/Hydrogen

4.41

THR A:82/Hydrogen

3.66

ASN A:79/Donor Clash

4.88

Levoglucosan

THR A:82/Hydrogen

3.85

-6.2

SER A:80/Hydrogen

4.21

THR A:256/Hydrogen

3.20

1,3,4,5-tetrahydroxycyclohexanecarboxylic acid

-6.9

ASN A:79/Hydrogen

3.93

PHE A:260/Hydrogen

5.52

SER A:248/Hydrogen

4.56

THR A:256/Hydrogen

THR A:82/Hydrogen

3.77

3.75

ASP A:62/Donor Clash

4.45

Benzeneacetonitrile,4-hydroxy

-6.6

ARG A:246/Donor Clash

5.29

TRP A:94/Donor Clash

5.76

PHE A:93/Hydrophobic

4.90

PHE A:260/Hydrogen

4.71