A Standard Reference Frame for the Description
of Nucleic Acid Base-pair Geometry
Supplementary Material
Example: kinked AA/TT (base-pairs 8 and 9) from PDT012
bp Shear Stretch Stagger Buckle Propeller Opening
stnd 8 A-T -0.17 0.05 0.31 32.13 -15.56 8.20
stnd 9 A-T 0.03 -0.10 0.04 4.50 -1.30 6.12
dO-N 8 A-T -0.18 0.15 0.30 32.13 -15.55 8.18
dO-N 9 A-T 0.03 0.00 0.04 4.50 -1.30 6.10
lambda0 8 A-T -0.17 0.05 0.28 32.13 -15.56 6.17
lambda0 9 A-T 0.03 -0.09 0.04 4.50 -1.30 4.09
both 8 A-T -0.18 0.15 0.28 32.13 -15.56 6.17
both 9 A-T 0.03 0.01 0.04 4.50 -1.30 4.09
step Shift Slide Rise Tilt Roll Twist
stnd 8 AA/TT 0.68 0.69 4.81 2.10 38.46 19.59
dO-N 8 AA/TT 0.69 0.68 4.80 2.10 38.47 19.59
lambda0 8 AA/TT 0.68 0.65 4.87 2.10 38.46 19.59
both 8 AA/TT 0.69 0.65 4.86 2.10 38.46 19.59
step X-disp Y-disp Rise Incl. Tip Twist
stnd 8 AA/TT -5.40 -0.59 2.87 63.94 -3.49 43.05
dO-N 8 AA/TT -5.39 -0.60 2.87 63.94 -3.48 43.05
lambda0 8 AA/TT -5.48 -0.58 2.87 63.94 -3.49 43.05
both 8 AA/TT -5.47 -0.59 2.86 63.94 -3.49 43.05
Note:
dN...H-N(A) dO...H-N(A) lambda0(degrees)
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stnd 3.0 3.0 54.5
dO-N 3.0 2.9 54.5
lambda0 3.0 3.0 55.5
both 3.0 2.9 55.5
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