Intra-basepair Parameters Buckle(°) -77.04 Open angle(°) -23.57 Propeller (°) -9.02 Stagger (Å) -0.58 Shear (Å) 1.56 Stretch (Å) 4.02

Basepair Geometry C1'-C1' Distance(Å) 9.22 C6-C8 Distance (Å) 9.54 Opening (°) 108.13 Glycosidic angle- 1 (°) 38.01 Glycosidic angle- 2 (°) 87.05

Quantum Chemical interaction energy = -15.48 Kcal/mol

(Ref: Unpublished data)

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