Intra-basepair Parameters Buckle (°) 4.40 Open angle(°) 0.00 Propeller (°) -12.06 Stagger (Å) 0.00 Shear (Å) 2.27 Stretch (Å) 2.98

Basepair Geometry C1'-C1' Distance(Å) 13.71 C6-C8 Distance(Å) 11.36 Opening (°) 179.98 Glycosidic angle- 1(°) 27.74 Glycosidic angle- 2(°) 27.75

Quantum Chemical interaction energy = -12.10 Kcal/mol

(Ref: Roy et.al. J.Phy.Chem.B, 2008, 112, 3786))

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