Intra-basepair Parameters Buckle(°) -0.14 Open angle(°) -11.3 Propeller (°) -0.08 Stagger (Å) 0.00 Shear (Å) 0.03 Stretch (Å) 3.41

Basepair Geometry C1'-C1' Distance(Å) 11.81 C6-C8 Distance (Å) 8.82 Opening (°) 93.89 Glycosidic angle- 1 (°) 46.47 Glycosidic angle- 2 (°) 43.77

Quantum Chemical interaction energy = -6.82 Kcal/mol

(Ref: Panigrahi et.al ,Unpublished data)

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