Intra-basepair Parameters Buckle(°) -60.84 Open angle(°) -45.50 Propeller (°) -35.14 Stagger (Å) 1.31 Shear (Å) -1.88 Stretch (Å) 2.87

Basepair Geometry C1'-C1' Distance(Å) 8.62 C6-C8 Distance (Å) 9.60 Opening (°) 132.87 Glycosidic angle- 1 (°) 46.47 Glycosidic angle- 2 (°) 86.35

Quantum Chemical interaction energy = -0.24 Kcal/mol

(Ref: Unpublished data)

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