Intra-basepair Parameters Buckle(°) -0.13 Open angle(°) -0.01 Propeller (°) 0.35 Stagger (Å) 0.02 Shear (Å) -2.94 Stretch (Å) 2.1

Basepair Geometry C1'-C1' Distance(Å) 8.16 C6-C8 Distance (Å) 3.41 Opening (°) 180.00 Glycosidic angle- 1(°) 38.59 Glycosidic angle- 2(°) 38.56

Quantum Chemical interaction energy = -5.60 Kcal/mol

(Ref: Panigrahi et. al, Unpublished data)

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