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Table 2 Detailed information of H bonds formed between ligand and the protein

From: Trichoderma virens β-glucosidase I (BGLI) gene; expression in Saccharomyces cerevisiae including docking and molecular dynamics studies

Residue

Amino acid

Distance H-A

Distance D-A

Donor Angle

Protein donor

Side chain

178

THR

1.82

2.76

155.04

yes

yes

224

ASN

3.17

3.69

144.24

no

yes

305

ARG

2.58

3.15

116.58

yes

yes

305

ARG

3.33

3.65

100.43

yes

yes

320

CYS

2.08

3.00

152.99

yes

no

320

CYS

2.39

3.10

126.54

no

no

416

TRP

3.67

3.24

116.59

yes

yes