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FEPs (first row) of H2O2 across the native (NAT (a)) and oxidized model systems (OXL (b) and OXP (c)), together with the nonbonded (i.e., Coulomb+van der Waals) interaction energy (second row) and pore radius (third row) profiles. The nonbonded interaction energies between H2O2 and the hydrophilic residues+water, the hydrophobic, and the amphipathic residues are shown in black, red, and green, respectively.
