Figure 1.

Rotamer recovery rate, sequence identity, and C-alpha RMSD for model-crystal structure pairs. The amino acid sequences for each crystal structure used as templates for the HASP server were modeled using the HASP server and the resultant models compared to the crystal structure. The identities are the number of identical amino acids between the query, template pair. The rotamer recovery rate is the ratio of residues with correctly modeled side-chains to all residues. The C-alpha RMSDs were calculated between the template structure and crystal structure of the sequence being modeled over all C-alpha atoms included in the model. Rotamer recovery versus identities can be fit by linear regression to the equation, rotamer recovery rate = 0.32 * identities + 0.41, with an R2 of 0.88. C-alpha RMSD versus rotamer recovery can be fit by linear regression to the equation, RMSD = −2.52 * identities + 3.16, with an R2 of 0.62. The PDB codes of the modeled sequence and template pairs are: A. 1JSD,3HTT; B. 1JSM,3GBM; C. 1MQM,2VIU; D. 1RV0,3GBN; E. 1RVX,3GBN; F. 1TI8,2VIU; G. 2VIU,1MQM; H. 3GBM,1JSM; I. 3GBN,1RV0; J. 3HTT,3GBN; K. 3KU3,3GBM; L. 3LZG,3GBN.

Ambroggio et al. BMC Bioinformatics 2013 14:197   doi:10.1186/1471-2105-14-197
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