3.2 Compactional screening the mutant candidates with better catalysis efficiency and thermostability
The structures of α-L-rhamnosidase Rha1 (GenBank code: AGN92963.1) and its mutants were obtained by homology modeling using Modeller 9.15. Energy minimization was carried out using Discovery Studio2019. The three-dimensional structure model of p NPR was contructed by Chem Bio Office 2017. The simulated protein structure was docked againstp NPR using AutoDock4.2. In general, the docking parameters for AutoDock4.2 were kept as default values. [(145.704, 166.348, 34.581), (60 Å×60 Å×60 Å)] grid map was used in docking calculations. Finally, the best poses were analyzed and visualized using Discovery studio 2019.