Intra-basepair Parameters Buckle(°) 39.83 Open angle(°) 3.35 Propeller (°) -1.68 Stagger (Å) -0.57 Shear (Å) -0.32 Stretch (Å) 3.36

Basepair Geometry C1'-C1' Distance(Å) 8.2 C6-C8 Distance (Å) 7.24 Opening (°) 47.35 Glycosidic angle- 1 (°) 94.65 Glycosidic angle- 2 (°) 18.3

Quantum Chemical interaction energy = -3.13 Kcal/mol

(Ref: Panigrahi et.al ,Unpublished data)

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