Intra-basepair Parameters Buckle(°) -0.24 Open angle(°) -11.08 Propeller (°) 0.31 Stagger (Å) 0.01 Shear (Å) -0.18 Stretch (Å) 3.4

Basepair Geometry C1'-C1' Distance(Å) 9.73 C6-C8 Distance (Å) 5.04 Opening (°) 140.15 Glycosidic angle- 1 (°) 41.91 Glycosidic angle- 2 (°) 51.83

Quantum Chemical interaction energy = -6.09 Kcal/mol

(Ref: Panigrahi et.al ,Unpublished data)

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