Figure 2.
Major groove width, slide and twist parameters of the five top ranking solutions of the Cro (A, D and G), Lac (B, E and H) and Arc (C, F and I) repressor/operator complexes. Average values plus standard deviations for the solutions of the unbound flexible docking with canonical B-DNA are shown as grey bars and those using a library of pre-bent and twisted DNA structures are shown as white bars. The values as measured in the published complexes are presented as black bars and those of the canonical B-DNA input structures as striped bars for slide (D,E,F) and twist (G,H,I) and as a horizontal solid line for the major groove width. All values for the major groove width are corrected by 5.8 Å to account for van der Waals radii of the phosphate groups. A value of 36° twist is presented as a dashed line for clarification of the twist-slide relationship.