Figure 8
Topological reconstruction of the backbone dipoles from ref. 148. Top inset: the relative orientation (θ) of a backbone dipole μ with respect to the internal reference system by three consecutive Cα's is determined by the angle γ, according to the relationship represented in the right inset. The stars indicate statistical distribution of (γ,θ) angles from the PDB databank (green=helical coiling, yellow=extended structures). Main graph: macromolecular electrostatic dipole along the longitudinal axis of a helical peptide undergoing unfolding by application of a longitudinal stretching force. The black line represents the estimate of the macromolecular dipole from an AA model, the red line is the prediction by the CG reconstruction.

Topological reconstruction of the backbone dipoles from ref. 148. Top inset: the relative orientation (θ) of a backbone dipole μ with respect to the internal reference system by three consecutive Cα's is determined by the angle γ, according to the relationship represented in the right inset. The stars indicate statistical distribution of (γ,θ) angles from the PDB databank (green=helical coiling, yellow=extended structures). Main graph: macromolecular electrostatic dipole along the longitudinal axis of a helical peptide undergoing unfolding by application of a longitudinal stretching force. The black line represents the estimate of the macromolecular dipole from an AA model, the red line is the prediction by the CG reconstruction.

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