Average base pairing energy profile of the RNA duplexes of the two systems (Ago-high and Ago-low).

The average energy profile of the local regions in the duplex was summarized based on the all-atom simulation of the miRNA-target RNA-Ago complex in an implicit water environment with different Mg2+ concentrations (Ago-low and Ago-high). We divided the duplex into the three local regions, depicted as “Region1” (mRNA 5′-terminal region and miRNA 3′-terminal region; bold region in the duplex), “Region2” (the middle region of the duplex; bold region in the duplex), and “Region3” (mRNA 3′-terminal region and miRNA 5′-region; bold region in the duplex).aEnergy difference from Ago-low to Ago-high (the energy unit: kcal/mol).bTest of contrast in conjunction with the full linear model as described in the Materials and Methods section.cTwo sample t-test.Average base pairing energy profile of the RNA duplexes of the two systems (Ago-high and Ago-low).