Molecular docking
The cryo-EM structures of hTRPA1 (Protein Data Bank (PDB) code: 3J9P) were selected as the docking model. The binding pocket were determined according to the reported TRPA1 agonist binding site (Suo et al., 2020) and the Glide method. And the conformation was conducted according to the result score using Rosetta software with default parameters. Binding poses of DNFB and DNCB with the top ten scores were considered as the possible binding modes with hTRPA1.