Table 1. Pairwise r.m.s. differences between starting and final structures of 1 and 2a.
A-formb | B-formc | 1d | |
---|---|---|---|
B-formc | 5.1 Å | ||
1d | 3.1 Å | 2.7 Å | |
2e | 3.7 Å | 2.4 Å | 1.3 Å |
aPairwise r.m.s. difference values were calculated between all heavy atom coordinates.
bEnergy minimized A-form starting structure for 1 or 2.
cEnergy minimized B-form starting structure for 1 or 2.
dFinal structure of 1. See text for details.
eFinal structure of 2.