Intra-basepair Parameters Buckle(°) 31.63 Open angle(°) -34.6 Propeller (°) 2.77 Stagger (Å) -1.2 Shear (Å) 0.79 Stretch (Å) 3.66

Basepair Geometry C1'-C1' Distance(Å) 8.59 C6-C8 Distance (Å) 10.16 Opening (°) 110.22 Glycosidic angle- 1 (°) 42.84 Glycosidic angle- 2 (°) 106.55

Quantum Chemical interaction energy = -10.64 Kcal/mol

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

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