Intra-basepair Parameters Buckle(°) -0.06 Open angle(°) 4.75 Propeller (°) -0.28 Stagger (Å) 0.01 Shear (Å) -0.25 Stretch (Å) 3.04

Basepair Geometry C1'-C1' Distance(Å) 9.74 C6-C8 Distance (Å) 8.49 Opening (°) 175.30 Glycosidic angle- 1 (°) 29.75 Glycosidic angle- 2 (°) 33.85

Quantum Chemical interaction energy = -8.27 Kcal/mol

(Ref: Panigrahi et al., Unpublished data)

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