Intra-basepair Parameters Buckle(°) 12.02 Open angle(°) 28.07 Propeller (°) -2.29 Stagger (Å) 0.22 Shear (Å) 1.87 Stretch (Å) 3.06

Basepair Geometry C1'-C1' Distance(Å) 5.12 C6-C8 Distance (Å) 6.3 Opening (°) 38.40 Glycosidic angle- 1 (°) 84.69 Glycosidic angle- 2 (°) 132.06

Quantum Chemical interaction energy = -7.64 Kcal/mol

(Ref: Panigrahi et.al , Unpublished data)

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