Intra-basepair Parameters Buckle(°) -8.19 Open angle(°) -3.71 Propeller (°) -2.52 Stagger (Å) -0.08 Shear (Å) -2.33 Stretch (Å) 2.94

Basepair Geometry C1'-C1' Distance(Å) 8.60 C6-C8 Distance (Å) 8.60 Opening (°) 178.84 Glycosidic angle- 1 (°) 46.51 Glycosidic angle- 2 (°) 42.63

Quantum Chemical interaction energy = -3.46 Kcal/mol

(Ref: Panigrahi et.al ,Unpublished data)

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