2.10 Bioinformatics analysis
Molecular dynamic simulations (MD) were performed by using YASARA
software (http://www.yasara.org). Specifically, the thermal fluctuations
of WT and its mutant were analyzed by using an Amber03 force field, and
SI was surrounded by H2O containing 0.29% NaCl with pH
6.0 in dodecahedron box. ConSurf Server (https://consurf.tau.ac.il/) was
employed for identifying the functional regions of
proteins.[30] Residue Interaction Network
Generator (http://old.protein.bio.unipd.it/ring/) was used to recognize
various kinds of interactions that introduced by the mutation in this
study.[31] ESPript
3.0(https://espript.ibcp.fr/ESPript/ESPript/) was mainly employed for
analysis of alignment sequence.[32]