Intra-basepair Parameters Buckle(°) -0.06 Open angle(°) -0.06 Propeller (°) -32.08 Stagger (Å) 0.01 Shear (Å) 2.67 Stretch (Å) 2.88

Basepair Geometry C1'-C1' Distance(Å) 11.11 C6-C8 Distance (Å) 6.38 Opening (°) 179.94 Glycosidic angle-1(°) 14.14 Glycosidic angle-2(°) 14.21

Quantum Chemical interaction energy = -9.76 Kcal/mol

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

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