Figure 2
(a) An overview of model rebuilding in our previous approach. (b) In our new approach, model rebuilding is interspersed with minimization moves, which allow deviations from the template to accommodate the new fragment. (c) A brief example of how our improved model building may handle small sequence misalignments. The aligned template (top; cyan) places insertions within a β-strand pairing (native in black). Our previous approach (middle; yellow) breaks the strand pairing. In our new protocol (bottom; magenta), by refining the template backbone during rebuilding the strand pairing is kept intact. |