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. Author manuscript; available in PMC: 2012 Feb 1.
Published in final edited form as: Proteins. 2011 Feb;79(2):537–546. doi: 10.1002/prot.22901

TABLE I.

Summary of the runs discussed in this work.

Designation Explanation
DSl.eq equilibration (20 ns) of the bl2-bound conformation of the stitched gpl20 mutant
DSl*.eq equilibration (20 ns) of the bl2-bound conformation with the I109C/Q428C mutation removed
DSl.tmd all-heavy-atom folding (5 ns) of α1 in DS1 followed by equilibration (20ns)
DSl*.tmd all-heavy-atom folding (5 ns) of α1 in DS1* followed by equilibration (20ns)
DSl.b20b21 After equilibration of DSl.tmd run, β20/β21 is moved back to its crystal structure state (2 ns)