Intra-basepair Parameters Buckle(°) -13.41 Open angle(°) -9.57 Propeller (°) 4.63 Stagger (Å) 0.2 Shear (Å) 2.2 Stretch (Å) 3.06

Basepair Geometry C1'-C1' Distance(Å) 9.71 C6-C8 Distance (Å) 6.03 Opening (°) 134.62 Glycosidic angle- 1 (°) 30.96 Glycosidic angle- 2 (°) 22.02

Quantum Chemical interaction energy = -6.81 Kcal/mol

(Ref: Panigrahi et al., Unpublished data)

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