Extended Data Fig. 4: The deviations between the loops in designed structures and in solved crystal structures.
(a) The RMSDs between the loops. The analysis included the 6 crystal structures obtained for proteins of backbones generated by SCUBA-D without condition. Each point corresponds to a loop, with the loops grouped according to their lengths and those of the same length displayed in the same column. The RMSDs were calculated by superimposing the flanking secondary structure segments for a pair of compared loops. An example showing the superimposed structures with the indicated RMSD between designed loop (blue) and corresponding crystal structure (orange). (b) The same as A, but for the 6 experimentally determined structures of proteins generated for particular architectures.
