Intra-basepair Parameters Buckle(°) -0.15 Open angle(°) -10.15 Propeller (°) 0.23 Stagger (Å) 0.01 Shear (Å) -2.61 Stretch (Å) 3.12

Basepair Geometry C1'-C1' Distance(Å) 9.47 C6-C8 Distance (Å) 7.7 Opening (°) 72.43 Glycosidic angle- 1 (°) 37.49 Glycosidic angle- 2 (°) 69.91

Quantum Chemical interaction energy = -6.16 Kcal/mol

(Ref: Panigrahi et.al ,Unpublished data)

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