Intra-basepair Parameters Buckle(°) -66.12 Open angle(°) -34.22 Propeller (°) -15.71 Stagger (Å) -1.03 Shear (Å) 0.70 Stretch (Å) 4.14

Basepair Geometry C1'-C1' Distance(Å) 5.75 C6-C8 Distance (Å) 8.93 Opening (°) 113.74 Glycosidic angle- 1 (°) 97.46 Glycosidic angle- 2 (°) 122.16

Quantum Chemical interaction energy = -10.0 Kcal/mol

(Ref: Unpublished data)

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