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. Author manuscript; available in PMC: 2008 Aug 31.
Published in final edited form as: J Mol Biol. 2007 Jun 9;371(5):1405–1419. doi: 10.1016/j.jmb.2007.06.003

Table 3.

Conformational adaptation energies (kcal/mol)

Single Trajectory
Separate Trajectory
Adaptation Energy
Free U1A (CLOSED) σa σa
Wild Type −4216.39 2.30 −4200.80 2.09 −15.59
F56A −4206.42 2.37 −4188.34 2.89 −18.08
F56L −4238.23 2.45 −4209.61 2.28 −28.62
F56W −4211.28 2.23 −4197.67 2.54 −13.61
Free U1A (OPEN)




Wild Type −4216.39 2.30 −4235.34 2.24 18.95
F56A −4206.42 2.37 −4228.46 2.09 22.04
F56L −4238.23 2.45 −4261.49 2.05 23.26
F56W −4211.28 2.23 −4233.51 2.08 22.23
Free SL2 RNA




Wild Type −4608.26 1.47 −4628.29 0.58 20.03
F56A −4603.79 1.68 −4628.29 0.58 24.50
F56L −4599.49 1.46 −4628.29 0.58 28.80
F56W −4601.03 1.44 −4628.29 0.58 27.26
a

Standard error of mean values.