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Dihedral angles converted to Ramachandran numbers can be recovered only approximately, but the error incurred during this back-mapping can be made much smaller than the standard error (typically 1Å) associated with structures in the protein databank.

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posted on 2016-08-04, 11:26 authored by Ranjan V. Mannige, Joyjit Kundu, Stephen Whitelam

Here we show the root-mean-squared-deviation (RMSD) in dihedral angles (a) and in protein α-carbon spatial coordinates (b) generated upon taking 8560 protein structures obtained from SCOP [36], converting their dihedral angles to Ramachandran numbers, and recovering approximately those dihedral angles using Eqs (7) and (8). The parameter σ indicates the grid resolution used to calculate R; see Eq (1).