A Standard Reference Frame for the Description
of Nucleic Acid Base-pair Geometry
Supplementary Material
Average values and dispersion (in parentheses)
Base-pair Parameters
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Shear Stretch Stagger Buckle Propeller Opening
3DNA A 0.01(0.23) -0.18(0.10) 0.02(0.25) -0.13(7.77) -11.79(4.14) 0.57(2.80)
B 0.00(0.21) -0.15(0.12) 0.09(0.19) 0.53(6.74) -11.35(5.26) 0.63(3.05)
CEHS A 0.01(0.23) -0.18(0.10) 0.02(0.25) -0.13(7.75) -11.82(4.14) 0.56(2.78)
B 0.00(0.21) -0.14(0.12) 0.09(0.19) 0.53(6.73) -11.37(5.27) 0.62(3.03)
CompDNA A 0.01(0.23) -0.18(0.10) 0.02(0.25) -0.12(7.70) -11.81(4.14) 0.56(2.79)
B 0.00(0.21) -0.15(0.12) 0.09(0.19) 0.53(6.70) -11.37(5.26) 0.62(3.03)
Curves A 0.01(0.23) -0.18(0.10) 0.02(0.25) -0.13(7.85) -11.76(4.12) 0.57(2.80)
B 0.00(0.21) -0.15(0.12) 0.09(0.19) 0.54(6.80) -11.33(5.26) 0.63(3.05)
FreeHelix A 0.01(0.23) -0.18(0.10) 0.02(0.25) -0.13(7.75) -11.84(4.15) 0.56(2.79)
B 0.00(0.21) -0.15(0.12) 0.09(0.19) 0.53(6.73) -11.38(5.27) 0.62(3.03)
NGEOM A 0.01(0.23) -0.18(0.10) 0.02(0.25) -0.13(7.77) -11.79(4.14) 0.57(2.80)
B 0.00(0.21) -0.14(0.12) 0.09(0.19) 0.53(6.74) -11.35(5.26) 0.63(3.05)
NUPARM A 0.01(0.23) -0.18(0.10) 0.02(0.25) -0.13(7.75) -11.79(4.13) 0.56(2.78)
B 0.00(0.21) -0.14(0.12) 0.09(0.19) 0.53(6.74) -11.35(5.26) 0.62(3.03)
RNA A 0.01(0.23) -0.19(0.10) 0.02(0.25) -0.13(7.77) -11.79(4.14) 0.56(2.79)
B 0.00(0.21) -0.15(0.12) 0.09(0.19) 0.53(6.74) -11.36(5.26) 0.62(3.04)
Step Parameters
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Shift Slide Rise Tilt Roll Twist
3DNA A -0.00(0.54) -1.53(0.34) 3.31(0.20) 0.06(2.81) 7.95(3.87) 31.11(4.01)
B -0.02(0.45) 0.23(0.81) 3.32(0.19) -0.05(2.52) 0.60(5.21) 35.99(6.80)
CEHS A -0.00(0.55) -1.53(0.34) 3.31(0.20) 0.06(2.76) 7.95(3.89) 31.07(3.99)
B -0.02(0.45) 0.23(0.81) 3.32(0.19) -0.04(2.48) 0.56(5.21) 35.96(6.68)
CompDNA A -0.00(0.55) -1.53(0.34) 3.31(0.20) 0.06(2.79) 7.96(3.87) 30.99(4.00)
B -0.02(0.45) 0.23(0.81) 3.32(0.19) -0.05(2.52) 0.60(5.22) 35.94(6.68)
Curves A -0.00(0.54) -1.53(0.34) 3.32(0.20) 0.06(2.84) 7.95(3.87) 31.14(4.05)
B -0.02(0.45) 0.23(0.81) 3.33(0.19) -0.05(2.53) 0.60(5.21) 36.02(6.92)
FreeHelix A -0.00(0.55) -1.53(0.34) 3.31(0.20) 0.06(2.80) 7.96(3.87) 30.99(4.00)
B -0.02(0.45) 0.23(0.81) 3.32(0.19) -0.05(2.52) 0.60(5.22) 35.94(6.68)
NGEOM A -0.00(0.55) -1.50(0.34) 3.33(0.20) 0.06(2.81) 7.95(3.87) 31.11(4.01)
B -0.02(0.45) 0.23(0.80) 3.33(0.19) -0.05(2.52) 0.60(5.21) 35.99(6.80)
NUPARM A -0.00(0.55) -1.47(0.34) 3.34(0.20) 0.07(2.86) 8.25(4.03) 30.97(3.99)
B -0.02(0.46) 0.23(0.80) 3.33(0.19) -0.04(2.60) 0.51(5.47) 35.92(6.68)
RNA A -0.00(0.52) -1.50(0.34) 3.31(0.11) 0.06(2.82) 8.05(3.93) 31.04(4.02)
B -0.02(0.44) 0.22(0.81) 3.31(0.09) -0.04(2.54) 0.56(5.30) 35.96(6.80)
Helical Parameters
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X-disp Y-disp H-Rise Inclination Tip H-Twist
3DNA A -4.17(1.22) 0.01(0.89) 2.83(0.36) 14.66(7.30) -0.13(5.16) 32.45(3.80)
B 0.05(1.28) 0.02(0.87) 3.29(0.21) 2.10(9.15) 0.02(4.33) 36.48(6.58)
NUPARM A -4.40(1.40) 0.01(0.97) 2.84(0.35) 14.64(7.32) -0.14(5.02) 32.42(3.74)
B 0.05(1.31) 0.03(0.90) 3.29(0.20) 2.05(9.14) 0.01(4.24) 36.45(6.46)
RNA A -4.17(1.22) 0.01(0.85) 2.81(0.34) 14.67(7.33) -0.13(5.12) 32.46(3.79)
B 0.01(1.30) 0.02(0.87) 3.28(0.13) 2.07(9.13) 0.01(4.30) 36.48(6.59)
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