Intra-basepair Parameters Buckle(°) -0.32 Open angle(°) -8.19 Propeller (°) -0.02 Stagger (Å) 0.0 Shear (Å) 0.22 Stretch (Å) 3.26

Basepair Geometry C1'-C1' Distance(Å) 9.32 C6-C8 Distance (Å) 7.03 Opening (°) 70.40 Glycosidic angle- 1 (°) 56.89 Glycosidic angle- 2 (°) 53.03

Quantum Chemical interaction energy = -9.25 Kcal/mol

(Ref: Panigrahi et.al ,Unpublished data)

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