Intra-basepair Parameters Buckle(°) -18.29 Open angle(°) -26.14 Propeller (°) -46.70 Stagger (Å) -0.21 Shear (Å) -2.49 Stretch (Å) 3.40

Basepair Geometry C1'-C1' Distance(Å) 9.4 C6-C8 Distance (Å) 10.2 Opening (°) 31.74 Glycosidic angle- 1 (°) 31.7 Glycosidic angle- 2 (°) 116.86

Quantum Chemical interaction energy = -14.76 Kcal/mol

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

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