Intra-basepair Parameters Buckle(°) 13.18 Open angle(°) 13.25 Propeller (°) 49.17 Stagger (Å) 0.68 Shear (Å) -0.3 Stretch (Å) 2.86

Basepair Geometry C1'-C1' Distance(Å) 7.99 C6-C8 Distance (Å) 9.99 Opening (°) 78.22 Glycosidic angle- 1 (°) 54.25 Glycosidic angle- 2 (°) 124.32

Quantum Chemical interaction energy = -11.98 Kcal/mol

(Ref: Panigrahi et.al , Unpublished data)

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