Intra-basepair Parameters Buckle(°) -1.48 Open angle(°) -3.63 Propeller (°) -24.24 Stagger (Å) -0.28 Shear (Å) -0.27 Stretch (Å) 2.88

Basepair Geometry C1'-C1' Distance(Å) 10.95 C6-C8 Distance (Å) 8.15 Opening (°) 88.41 Glycosidic angle- 1(°) 38.77 Glycosidic angle- 2(°) 52.04

Quantum Chemical interaction energy = -12.98 Kcal/mol

(Ref: Panigrahi et. al, Unpublished data)

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