Intra-basepair Parameters Buckle(°) -3.20 Open angle(°) 7.49 Propeller (°) 1.91 Stagger (Å) 0.00 Shear (Å) 0.15 Stretch (Å) 2.79

Basepair Geometry C1'-C1' Distance(Å) 9.65 C6-C8 Distance (Å) 6.09 Opening (°) 120.66 Glycosidic angle- 1 (°) 23.1 Glycosidic angle- 2 (°) 28.7

Quantum Chemical interaction energy = -13.31 Kcal/mol

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

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