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. Author manuscript; available in PMC: 2008 Dec 10.
Published in final edited form as: Multiscale Model Simul. 2006;5(4):1227–1247. doi: 10.1137/060663040

Table 3.1. Effect of local conformational coupling on the lowest-frequency normal twisting mode of a 100 bp generic DNA homopolymer*.

Coupled variables ν10 (cm-1) ν1eq (cm-1) ΔC§ (%)
0.186 0.186
Tilt-Roll 0.186 0.186 0.0
Tilt-Twist 0.185 0.185 -0.5
Tilt-Shift 0.186 0.186 0.0
Tilt-Slide 0.186 0.186 0.0
Tilt-Rise 0.186 0.186 0.0
Roll-Twist 0.192 0.193 8.6
Roll-Shift 0.186 0.186 0.0
Roll-Slide 0.186 0.186 0.0
Roll-Rise 0.186 0.186 0.1
Twist-Shift 0.185 0.185 -0.6
Twist-Slide 0.185 0.186 0.0
Twist-Rise 0.182 0.193 8.2
Shift-Slide 0.186 0.186 0.0
Shift-Rise 0.186 0.186 0.0
Slide-Rise 0.186 0.186 0.0
Roll-Twist,Twist-Rise 0.188 0.210 28.3
Twist-Slide,Twist-Rise 0.181 0.199 14.7
Roll-Twist,Twist-Slide 0.194 0.198 13.6
Roll-Twist,Twist-Slide,Twist-Rise 0.184 0.214 33.1
*

Dimeric rest state: (θ10,θ20,θ30,θ40,θ50,θ60)=(0°,2.8°,33.8°,0,0.20,3.33).

Frequencies of DNA chains subject to the following global constraints: ν10, unrestrained chain ends; ν1eq, ends restrained to equilibrium length.

§

Change in torsional modulus of the restrained duplex subject to given conformational coupling compared to that (C = 1.98 × 10-19 erg-cm) of the unrestrained, generic molecule with independent fluctuations of base-pair step parameters.