Intra-basepair Parameters Buckle(°) -15.59 Open angle(°) -39.50 Propeller (°) -4.08 Stagger (Å) -0.97 Shear (Å) 0.97 Stretch (Å) 4.12

Basepair Geometry C1'-C1' Distance(Å) 5.63 C6-C8 Distance (Å) 9.68 Opening (°) 122.69 Glycosidic angle- 1 (°) 100.67 Glycosidic angle- 2 (°) 143.02

Quantum Chemical interaction energy = -3.77 Kcal/mol

(Ref: Panigrahi et. al, Unpublished data)

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