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. 2022 Jun 8;10:880795. doi: 10.3389/fbioe.2022.880795

TABLE 1.

Summary of mutations to used mimic surface charge modifications in PyMol.

Charge variant Modification chemistry Target residues PyMol mutations
Unmodified N/A N/A N/A
Acetylated graphic file with name fbioe-10-880795-fx1.jpg Primary Amines (Lys)> Lys → Ala
Neutralized graphic file with name fbioe-10-880795-fx2.jpg Carboxylic Acid (Asp or Glu)> Asp → Ala
Glu → Ala
Succinylated graphic file with name fbioe-10-880795-fx3.jpg Primary Amines (Lys)> Lys → Asp
Cationized graphic file with name fbioe-10-880795-fx4.jpg Carboxylic Acid (Asp or Glu)> Asp → Lys
Glu → Lys