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The inorganic phosphate PPi and lysine side chains as a function of time in an SMD trajectory: a) Distances between the PPi center of mass and the nitrogen atoms of the lysine side chains b) The Root Mean Square Distances (RMSD) as a function of time with respect to the initial structures of PPi, Lys220 and Lys71, c) distances between Lys220 and Lys71/Lys66 backbones, d) RMSD for Lys220 and Lys220 backbone.
