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Orientation of Asp218 and Phe219 residues in the starting DFG “in” conformation (a) and the simulated DFG “out” conformation (b). Phe219 points towards the αC-helix in DFG “in” conformation while Asp218 points in the opposite direction. These two residues swap their positions in the DFG “out” conformation. The DFG-flip occurs through DFG “up” conformation in which Phe219 points towards the N-lobe while Asp218 points opposite to the allosteric pocket (c)
