Intra-basepair Parameters Buckle(°) -0.98 Open angle(°) 0.03 Propeller (°) 0.35 Stagger (Å) 0.00 Shear (Å) 0.09 Stretch (Å) 2.86

Basepair Geometry C1'-C1' Distance(Å) 10.69 C6-C8 Distance (Å) 9.86 Opening (°) 19.18 Glycosidic angle- 1 (°) 53.57 Glycosidic angle- 2 (°) 54.0

Quantum Chemical interaction energy = -14.43 Kcal/mol

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

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