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. Author manuscript; available in PMC: 2018 Oct 27.
Published in final edited form as: J Phys Chem B. 2017 Mar 31;121(15):3882–3894. doi: 10.1021/acs.jpcb.7b00998

Table 1:

Model Parameters

Parameter Value
DNA Persistence Length 50 nm
DNA Stretching rigidity, h 6.4 kcal/mol/n2
DNA Bending Rigidity, g 5.8 kcal/mol
DNA Twisting Rigidity, s 14.3 kcal/mol
DNA Equilibrium Twist Value, φ0 .033 ± .209 rad (0 ± 12 )
van der Waals radius (DNA-DNA), σll 3.6 nm
van der Waals radius (DNA-Core), σlc 2.4 nm
van der Waals radius (DNA-Tail), σlt 2.7 nm
van der Waals radius (DNA-LH, Globular head), σlLHg 3.4 nm
van der Waals radius (DNA-LH, C-term), σlLHc 3.6 nm
van der Waals radius (Core-Tail), σct 1.8 nm
van der Waals radius (Core-LH, Globular head), σcLHg 2.2 nm
van der Waals radius (Core-LH, C-term), σcLHc 3.4 nm
van der Waals radius (Tail-LH, Globular head), σtLHg 1.6 nm
van der Waals radius (Tail-LH, C-term), σtLHc 2.7 nm
van der Waals radius (LH-LH, Globular head), σLHgLHg 1.5 nm
van der Waals radius (LH-LH, C-term), σLHcLHc 1.8 nm
Electrostatic Long Range Cutoff 7 nm
Lennard-Jones Long Range Cutoff 4 nm
Temperature, T 293 K
Salt Concentration (NaCl) 150 mM