Extended Data Table 1 Protonation states predicted by PROPKA3 for BRTNaC1 at pH 3.5 (pH 3.5) for the open state and 8.0 (pH 8.0), 3.5 (pH 8.0 to 3.5) for the closed state, in CHARMM format

From: Structure and function of a broad-range thermal receptor in myriapods

  1. Due to histidine having two protonation sites, its protonation occurs in three distinct forms, labeled as follows: HSD means histidine with a hydrogen on the ND1; HSE represents histidine with a hydrogen on NE2 and HSP corresponds to histidine with hydrogens on both nitrogens.
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