Intra-basepair Parameters Buckle(°) -1.20 Open angle(°) 21.44 Propeller (°) -2.2 Stagger (Å) 0.03 Shear (Å) 0.04 Stretch (Å) 2.98

Basepair Geometry C1'-C1' Distance(Å) 7.72 C6-C8 Distance (Å) 6.05 Opening (°) 47.48 Glycosidic angle- 1 (°) 60.59 Glycosidic angle- 2 (°) 68.49

Quantum Chemical interaction energy = -5.88 Kcal/mol

(Ref: Panigrahi et al., Unpublished data)

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