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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 3.3. Effect of stretching on the lowest-frequency normal twisting mode and elastic modulus of a 100 bp generic DNA homopolymer*.

Coupled variables r (Å) (r - req)/req (%) Y/Y0 ν1str (cm-1) C (10-19 erg-cm)
344.0 5.2 0.89 0.187 2.09
Tilt-Roll 343.9 5.2 0.89 0.187 2.09
Tilt-Twist 344.0 5.2 0.89 0.188 2.12
Tilt-Shift 344.0 5.2 0.89 0.187 2.09
Tilt-Slide 344.0 5.2 0.89 0.187 2.09
Tilt-Rise 343.8 5.2 0.91 0.187 2.09
Roll-Twist 344.0 5.2 0.89 0.197 2.32
Roll-Shift 344.0 5.2 0.89 0.187 2.09
Roll-Slide 344.1 5.3 0.88 0.187 2.09
Roll-Rise 345.0 5.5 0.78 0.188 2.10
Twist-Shift 344.0 5.2 0.89 0.186 2.07
Twist-Slide 344.0 5.2 0.89 0.184 2.04
Twist-Rise 344.0 5.2 0.88 0.195 2.28
Shift-Slide 343.9 5.2 0.90 0.187 2.09
Shift-Rise 344.4 5.4 0.84 0.186 2.09
Slide-Rise 343.2 5.0 0.98 0.185 2.08
Roll-Twist,Twist-Rise 344.0 5.2 0.89 0.211 2.67
Twist-Slide,Twist-Rise 344.0 5.2 0.89 0.197 2.32
Roll-Twist,Twist-Slide 344.0 5.2 0.89 0.212 2.69
Roll-Twist,Twist-Slide,Twist-Rise 344.0 5.2 0.88 0.224 3.01
*

Dimeric rest state: (θ10,θ20,θ30,θ40,θ50,θ60)=(0°,2.8°,33.8°,0,0.2,3.33).

Young’s modulus, Y, of the restrained duplex with designated conformational properties compared to that, Y0, of the free, ideal DNA duplex without coupling.