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. 2000 Nov 15;28(22):4514–4522. doi: 10.1093/nar/28.22.4514

Table 2. Statistical analysis of the final structures of 1 and 2a.

  vdWb Rx c Bondsd Anglese Dihedf Distance violationsg
1h –262 0.066 ± 0.001 (0.159, 0.099) 0.01 Å 3.5° 0.005° 0
2i –262 0.072 ± 0.001 (0.186, 0.095) 0.01 Å 3.5° 0.05° 0

aThe final structures of 1 and 2 were the result of energy minimization of the average of 10 A- and 10 B-form derived structures.

bCalculated van der Waals energy in kcal/mol.

cSixth-root R-factor of the 20 final structures as determined by the program CORMA (35,36,51). The values in parentheses are the Rx values of the starting A- or B-form models, respectively.

dr.m.s. deviation of the covalent bonds from their equilibrium values.

er.m.s. deviation of the bond angles from their equilibrium values.

fr.m.s. deviation of the dihedral angle constraints.

gNumber of bounds violations above 0.25 Å.

hFinal structure of 1. See text for details.

iFinal structure of 2.