Intra-basepair Parameters Buckle(°) -45.45 Open angle(°) -30.68 Propeller (°) -20.69 Stagger (Å) -1.29 Shear (Å) 0.56 Stretch (Å) 4.20

Basepair Geometry C1'-C1' Distance(Å) 9.58 C6-C8 Distance (Å) 10.1 Opening (°) 34.72 Glycosidic angle- 1 (°) 34.06 Glycosidic angle- 2 (°) 108.13

Quantum Chemical interaction energy = -14.55 Kcal/mol

(Ref: Panigrahi et. al, J. Biomol Struct. Dyn.,29,3,2011)

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