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Table 2 Alanine scanning

From: Rationally introducing non-canonical amino acids to enhance catalytic activity of LmrR for Henry reaction

Mutation

Mutation Energya (kcal/mol)

Effect

TRP96 > ALA

2.43

Destabilizing

TRP96' > ALA

1.51

Destabilizing

VAL15' > ALA

0.67

Destabilizing

ASP100 > ALA

0.41

Neutral

MET8 > ALA

0.37

Neutral

MET8' > ALA

0.23

Neutral

ILE103 > ALA

0.14

Neutral

VAL99 > ALA

0.09

Neutral

VAL15 > ALA

0.09

Neutral

PRO5' > ALA

0.05

Neutral

  1. aWhen the mutation energy is greater than 0.5, the Effect is destabilizing, indicating that the mutation will lead to a decrease in the affinity between the enzyme and substrates; when the mutation energy is between − 0.5 ~  + 0.5, the Effect is neutral, indicating that the mutation has no effect on the affinity between the enzyme and substrates