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. Author manuscript; available in PMC: 2013 Jan 10.
Published in final edited form as: J Chem Theory Comput. 2011 Dec 8;8(1):335–347. doi: 10.1021/ct200712b

Table 1.

Comparison of the RNA sugar-phosphate backbone torsion angles (degrees) of the four idealized conformational categories found in dinucleotide platform structures with those in standard A-RNA steps. For the backbone torsion angles nomenclature, see Figure 5.

Conformational
Classa
Labelb Average sugar-phosphate torsion anglesd
γ c δ ε ζ α+1 β+1 γ+1 δ+1
I &a 56 82 −169 −95 −64 −178 51 82
II #a 164 148 −168 146 −71 151 42 85
III 0a 53 149 −137 139 −75 158 48 84
IV 4g 48 148 −103 165 −155 165 49 83
A-RNA 1a 54 80 −150 −73 −65 173 54 80
a

Conformational classes based on distinguishing torsional features of the sugar-phosphate-sugar unit: I - A-like homogeneous C3′ -endo puckered sugars, gauche, gauche phosphodiester; II and III - mixed C2′-endo/C3′-endo puckering, trans, gauche phosphodiester; IV - mixed C2′-endo/C3′-endo puckering, trans, trans phosphodiester.

b

Respective RNA family labels according to the Richardson et al. nomenclature44.

c

γ values for classes I-IV taken respectively from appropriate experimental examples (PDB ID/Nucleotide/Chain): 1hq1/163/B46; 1s72/137147, 1s72/26547, and 1hr2/226/A48. The idealized A-RNA structure is periodic and thus γ is identical to γ+1.

d

Average backbone torsions found by Richardson et al. (categories I-IV) and Schneider et al. (A-RNA). For more details see Refs. 44 and 45.