. Author manuscript; available in PMC: 2019 Dec 15.

Published in final edited form as: J Comput Chem. 2018 Dec 15;39(32):2624–2646. doi: 10.1002/jcc.25709

Table 8.

Optimized dihedral parameters for the 2’-hydroxyl and backbone torsions.

Torsion	k (kcal mol⁻¹ rad⁻²)	Multiplicity	Phase Angle (°)
C1’-C2’-O2’-H2’	2.360	1	0.0
	0.830	2	0.0
	0.340	3	0.0
C3’-C2’-O2’-H2’	2.360	1	0.0
O3’-P-O5’-C5’ (α)	2.500	1	180.0
O1P/O2P-P-O5’-C5’ (α₂)	0.300	3	0.0
O5’-C5’-C4’-C3’ (γ)	1.708	1	180.0
	0.305	2	0.0
	0.344	3	0.0
O5’-C5’-C4’-O4’ (γ₂)	1.631	1	180.0
C4’-C3’-O3’-P (ε)	2.653	1	180.0
C3’-O3’-P-O5’ (ζ)	2.250	1	180.0
C3’-O3’-P-O1P/O2P (ζ₂)	0.500	1	0.0
	1.500	2	180.0
	0.750	3	0.0