. Author manuscript; available in PMC: 2024 Aug 1.

Published in final edited form as: J Med Chem. 2019 Jun 25;62(13):6175–6189. doi: 10.1021/acs.jmedchem.9b00428

Table 2.

Bioinformatics analysis of wild type and mutated GALNS.

Protein	Total Energy (kJ/mol)	Δ energy vs wild-type (kJ/mol)	RMSD (Å)
Protein	Total Energy (kJ/mol)	Δ energy vs wild-type (kJ/mol)	Backbone	All atoms
Wild Type	−22,914.273	---	---	---
p.R61W	−22,408.814	−505.5	0.043	0.051
p.R94C	−22,492.967	−421.3	0.043	0.051
p.F285del	−20,120.439	−2793.8	0.212	0.317
p.R386C	−22,399.646	−514.6	0.043	0.051
p.A393S	−22,690.773	−223.5	0.043	0.050
p.W405_T406del	−20,905.438	−2008.8	0.195	0.284