. Author manuscript; available in PMC: 2023 Feb 1.

Published in final edited form as: Proteins. 2021 Oct 8;90(2):504–511. doi: 10.1002/prot.26245

Table 2. Docking Results.

The PET molecule used was the shortened tetramer PET molecule 2-HE(MHET)₄. The cutin molecule used was linear C₂₄H₄₂O₈, an oligo-polyester which mimics some cutin molecules.

	PETen1	PETen2	I. sakaiensis PETase	Classical Cutinase (Fusarium solani pisi)
Binding Energy (kcal mol⁻¹) - PET	−7.2	−7.3	−7.7	−5.4
Binding Energy (kcal mol⁻¹) - Cutin	−4.0	−3.6	−4.2	−5.8