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Per amino-acid interaction energy map for the cocrystallized compounds in the human IRE1 kinase-binding site. (A) Electrostatic energy values (kcal mol–1); (B) hydrophobic score (arbitrary units). PDB IDs 3P23 and 4YZD have ADP as a cocrystalized ligand and PDB IDs 4YZ9, 4YZC, 4Z7H, and 4U6R have exogenous ligands cocrystallized. *Dephosphorylated IRE1α cocrystallized with KIRA.13
