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(a) Spatial variation of the axial translational diffusion coefficient of water molecules in AQP and the identification of different diffusion mechanisms inside the channel. (b) Spatial variation of the rotational diffusion coefficient of water molecules in AQP. (c) Water arrangement in wildtype AQP and the structure of ASN78, ASN194, and ARG197; the dipole flip is observed. (d) Mutated AQP with inversed charges of amino hydrogens in ASN78 and ASN194; the dipole flip is not observed.
