Intra-basepair Parameters Buckle(°) 0.14 Open angle(°) 0.0 Propeller (°) 0.03 Stagger (Å) 0.0 Shear (Å) 2.28 Stretch (Å) 3.31

Basepair Geometry C1'-C1' Distance(Å) 11.47 C6-C8 Distance (Å) 6.63 Opening (°) 180.0 Glycosidic angle- 1 (°) 20.74 Glycosidic angle- 2 (°) 20.79

Quantum Chemical interaction energy = -4.50 Kcal/mol

(Ref: Panigrahi et.al ,Unpublished data)

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