Intra-basepair Parameters Buckle(°) 0.00 Open angle(°) 0.00 Propeller (°) -0.08 Stagger (Å) 0.00 Shear (Å) 2.1 Stretch (Å) 2.75

Basepair Geometry C1'-C1' Distance(Å) 13.34 C6-C8 Distance (Å) 11.14 Opening (°) 180.0 Glycosidic angle- 1(°) 72.05 Glycosidic angle- 2(°) 72.04

Quantum Chemical interaction energy = -21.77 Kcal/mol

(Ref: Panigrahi et. al, Unpublished data)

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