Intra-basepair Parameters Buckle(°) 1.96 Open angle(°) 0.02 Propeller (°) 0.86 Stagger (Å) 0.02 Shear (Å) 2.13 Stretch (Å) 3.08

Basepair Geometry C1'-C1' Distance(Å) 8.81 C6-C8 Distance (Å) 10.72 Opening (°) 180.0 Glycosidic angle- 1(°) 72.05 Glycosidic angle- 2(°) 72.04

Quantum Chemical interaction energy = -0.72 Kcal/mol

(Ref: Panigrahi et.al, Unpublished data)

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