Intra-basepair Parameters Buckle(°) -92.38 Open angle(°) 21.25 Propeller (°) 22.41 Stagger (Å) 0.05 Shear (Å) 3.32 Stretch (Å) 3.44

Basepair Geometry C1'-C1' Distance(Å) 9.04 C6-C8 Distance (Å) 8.65 Opening (°) 150.89 Glycosidic angle- 1 (°) 33.01 Glycosidic angle- 2 (°) 83.34

Quantum Chemical interaction energy = -8.73 Kcal/mol

(Ref: Panigrahi et.al , Unpublished data)

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