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Table 3 Saturated mutation scanning

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

Mutation

Mutation Energya (kcal/mol)

Effect

A11ʹK

− 1.09

Stabilizing

A11ʹF

− 0.92

Stabilizing

A11ʹH

− 0.82

Stabilizing

V15ʹW

− 0.82

Stabilizing

A11ʹM

− 0.81

Stabilizing

A11ʹQ

− 0.78

Stabilizing

A11ʹL

− 0.73

Stabilizing

V15W

− 0.72

Stabilizing

A11ʹE

− 0.65

Stabilizing

A92ʹQ

− 0.55

Stabilizing

A92ʹR

− 0.52

Stabilizing

A11ʹR

− 0.50

Neutral

A11ʹN

− 0.48

Neutral

V15Y

− 0.47

Neutral

V15F

− 0.45

Neutral

V15ʹF

− 0.45

Neutral

V15ʹY

− 0.44

Neutral

A92ʹE

− 0.43

Neutral

A92ʹW

− 0.42

Neutral

A11ʹW

− 0.41

Neutral

  1. aWhen the mutation energy is less than − 0.5, the Effect is stabilizing, indicating that the mutation will lead to an increase 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