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. 2020 Jan 22;8(2):156. doi: 10.3390/microorganisms8020156

Table 1.

Energy values of interaction between selected Psn23 MatE amino acids and several putative ligands. The value for each amino acid residue represents the energy of the single bond (expressed as kcal/mol). H = hydrogen bonding; V = van der Waals forces.

Ligand Energy H T175 H Y200 V T170 V T173 V T175 V Y200
L-Trp −72.1 0 0 0 0 0 −11.1
IAM −71.2 −2.9 −1.4 0 0 −0.9 −10.6
IAA-free −102.5 0 0 0 0 −1.5 −28.5
IAA-lysine −95.1 −5.9 0 −2.1 −3.5 −3.9 −16.8