The substrate translocation pathway from the S1 site to the S2 site.
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aas in Table 1.bFor SMD calculations, percentages were defined as the number of frames during which substrate sees a residue/(Frame No. when it last sees that residue - Frame No. when it first sees that residue); both the SMD and MD equilibrations were included for the calculation. The maximum percentages from individual SMD or MD simulations are reported.
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2015-12-02
