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The correlation of Y119 χ1 dihedral angle change (in the top panel) with the opening of W312 loop (in the bottom panel) monitored by the distance between Cα atoms of W312 and Y119 in two separate MD simulations of DANA-bound TcTS. W312 loop opening does not occur unless Y119 side chain swings into the catalytic cleft (for which χ1=180°). The dihedral angles are in degrees and distances are in Angstroms.
