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Table 3 Residues with potential for polar bonds. The five residues listed were within four Angstroms of the bound ligand sorbitol and did not create any polar bonds, though were oriented toward the ligand and appeared to have the potential to interact

From: In-silico molecular designs to treat neurologic and ophthalmologic diseases caused by sorbitol excess: engineering the Agrobacterium vitis protein

 

Before Mutation

After Mutation

After FastRelax

Residue Number

Residue

Number of Polar Bonds

Residue

Number of Polar Bonds

Residue

Number of Polar Bonds

63

PHE

0

LYS

0

PHE

0

64

ASP

0

PRO

0

ASP

3

137

ASP

0

TYR

0

ASP

1

181

VAL

0

VAL

0

VAL

0

184

CYS

0

ILE

0

CYS

0