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Table 3 Comparison of the hydrogen bond occupancy rates of GtCel5 and its mutants, N233A and N233G, during the last 15 ns trajectories

From: Enhancing the catalytic activity of a novel GH5 cellulase GtCel5 from Gloeophyllum trabeum CBS 900.73 by site-directed mutagenesis on loop 6

Residuea

GtCel5

N233D

N233A

N233G

Donor

Acceptor

Occupancy rate (%)

Donor

Acceptor

Occupancy rate (%)

Donor

Acceptor

Occupancy rate (%)

Donor

Acceptor

Occupancy rate (%)

228/233

Y228@H

N233@OD1

32

Y228@H

D233@OD2

77

–

–

–

–

–

–

230/233

N233@H

D230@O

20

D233@H

D230@O

13

A233@H

D230@OD2

53

G233@H

D230@OD1

35

228/267

Y228@HH

E267@OE2

40

Y228@HH

E267@OE1

36

–

–

–

–

–

–

  1. aThe hydrogen bonds around position 233 that exist only in wild-type GtCel5 and N233D are indicated in italics