Intra-basepair Parameters Buckle(°) -1.53 Open angle(°) 0.55 Propeller (°) 0.03 Stagger (Å) -0.06 Shear (Å) 2.18 Stretch (Å) 3.02

Basepair Geometry C1'-C1' Distance(Å) 10.21 C6-C8 Distance (Å) 10.23 Opening (°) 103.38 Glycosidic angle-1(°) 103.38 Glycosidic angle-2(°) 7.61

Quantum Chemical interaction energy = -4.38 Kcal/mol

(Ref: Panigrahi et. al, Unpublished data)

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