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Table 2 Potential energy barriers of getting in the substrate for the wild-type and mutants

From: Engineering of 3-ketosteroid-∆1-dehydrogenase based site-directed saturation mutagenesis for efficient biotransformation of steroidal substrates

system

∆Goff (kcal/mol)

∆∆Goff (kcal/mol)

WT

− 11.45

W299A

− 6.14

5.31

W299G

− 7.10

4.35