Intra-basepair Parameters Buckle(°) -10.18 Open angle(°) -31.74 Propeller (°) 6.63 Stagger (Å) 0.18 Shear (Å) -0.49 Stretch (Å) 3.41

Basepair Geometry C1'-C1' Distance(Å) 11.85 C6-C8 Distance (Å) 8.88 Opening (°) 105.26 Glycosidic angle- 1 (°) 46.2 Glycosidic angle- 2 (°) 26.03

Quantum Chemical interaction energy = -1.81 Kcal/mol

(Ref: Panigrahi et.al ,Unpublished data)

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