Intra-basepair Parameters Buckle(°) -10.51 Open angle(°) 17.6 Propeller (°) -12.22 Stagger (Å) 0.03 Shear (Å) 2.77 Stretch (Å) 2.52

Basepair Geometry C1'-C1' Distance(Å) 8.12 C6-C8 Distance (Å) 4.34 Opening (°) 115.59 Glycosidic angle- 1 (°) 77.46 Glycosidic angle- 2 (°) 37.01

Quantum Chemical interaction energy = -5.75 Kcal/mol

(Ref: Panigrahi et. al, Unpublished data)

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