Intra-basepair Parameters Buckle(°) -17.61 Open angle(°) 13.42 Propeller (°) -37.98 Stagger (Å) 0.06 Shear (Å) -2.54 Stretch (Å) 3.02

Basepair Geometry C1'-C1' Distance(Å) 10.44 C6-C8 Distance (Å) 10.33 Opening (°) 148.55 Glycosidic angle- 1 (°) 38.04 Glycosidic angle- 2 (°) 63.42

Quantum Chemical interaction energy =-11.83 Kcal/mol

(Ref: Panigrahi et.al ,J. Biomol. Struc. Dyn.,2011, 3 )

Intra-basepair parameters and basepair geometry are calculated by NUPARM.