Intra-basepair Parameters Buckle(°) 2.34 Open angle(°) -6.63 Propeller (°) 2.83 Stagger (Å) 0.03 Shear (Å) 0.16 Stretch (Å) 2.98

Basepair Geometry C1'-C1' Distance(Å) 6.0 C6-C8 Distance (Å) 8.59 Opening (°) 70.19 Glycosidic angle- 1 (°) 65.06 Glycosidic angle- 2 (°) 130.51

Quantum Chemical interaction energy = -9.43 Kcal/mol

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

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