Intra-basepair Parameters Buckle(°) 8.21 Open angle(°) 14.10 Propeller (°) -9.66 Stagger (Å) 0.18 Shear (Å) 1.70 Stretch (Å) 3.27

Basepair Geometry C1'-C1' Distance(Å) 9.08 C6-C8 Distance (Å) 9.16 Opening (°) 89.49 Glycosidic angle- 1 (°) 8.16 Glycosidic angle- 2 (°) 99.56

Quantum Chemical interaction energy = -12.25 Kcal/mol

(Ref: Unpublished data)

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