Intra-basepair Parameters Buckle(°) 0.2 Open angle(°) -33.32 Propeller (°) -0.21 Stagger (Å) 0.00 Shear (Å) -0.46 Stretch (Å) 3.31

Basepair Geometry C1'-C1' Distance(Å) 9.79 C6-C8 Distance (Å) 4.94 Opening (°) 153.01 Glycosidic angle- 1 (°) 41.81 Glycosidic angle- 2 (°) 18.04

Quantum Chemical interaction energy = -5.31 Kcal/mol

(Ref: Panigrahi et.al ,Unpublished data)

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