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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 A.3.

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

Coupled variables r (Å) (r - req)/req (%) Y/Y0 ν1str (cm-1) C (10-19 erg-cm)
353.4 5.0 1.00 0.189 2.15
Tilt-Roll 353.4 5.0 1.00 0.189 2.15
Tilt-Twist 353.4 5.0 1.00 0.190 2.17
Tilt-Shift 353.4 5.0 1.00 0.189 2.15
Tilt-Slide 353.4 5.0 1.00 0.189 2.15
Tilt-Rise 353.3 5.0 1.02 0.189 2.15
Roll-Twist 353.4 5.0 1.00 0.191 2.19
Roll-Shift 353.4 5.0 1.00 0.189 2.15
Roll-Slide 353.4 5.0 1.00 0.189 2.15
Roll-Rise 353.1 4.9 1.04 0.190 2.15
Twist-Shift 353.4 5.0 1.00 0.187 2.12
Twist-Slide 353.4 5.0 1.00 0.187 2.10
Twist-Rise 353.5 5.0 1.00 0.197 2.35
Shift-Slide 353.4 5.0 1.00 0.189 2.15
Shift-Rise 353.6 5.1 0.98 0.188 2.15
Slide-Rise 353.7 5.1 0.97 0.188 2.15
Roll-Twist, Twist-Rise 353.4 5.0 1.00 0.202 2.47
Twist-Slide, Twist-Rise 353.4 5.0 1.00 0.197 2.35
Roll-Twist, Twist-Slide 353.4 5.0 1.00 0.205 2.53
Roll-Twist, Twist-Slide, Twist-Rise 353.4 5.0 1.00 0.212 2.72
*

Dimeric rest state: (θ10,θ20,θ30,θ40,θ50,θ60)=(0°,0°,36°,0,0,3.4).

§

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