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Successful ab initio prediction of the tertiary structure of NK-lysin using multiple sequences and recognized supersecondary structural motifs.

Jones, DT; (1997) Successful ab initio prediction of the tertiary structure of NK-lysin using multiple sequences and recognized supersecondary structural motifs. Proteins , Suppl 1 185 - 191.

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Abstract

A simple approach to protein tertiary structure prediction is described, based on the assembly of recognized supersecondary structural fragments taken from highly resolved protein structures by using a simulated annealing algorithm. The results of blind-testing this method on CASP2 target T0042 (pig NK-lysin) are presented. The predicted structure had a C alpha root-mean-square deviation of only 6.2 A from the experimental structure (and less than 5.0 A over the first 66 residues), and clearly had the correct fold when judged by using a number of objective measures. Despite the significant degree of success in this case, there is clearly much more development required before predictions with the accuracy of a good homology model can be made with this kind of approach.

Type: Article
Title: Successful ab initio prediction of the tertiary structure of NK-lysin using multiple sequences and recognized supersecondary structural motifs.
Location: UNITED STATES
Language: English
Keywords: Anti-Infective Agents, Antineoplastic Agents, Binding Sites, Models, Molecular, Protein Structure, Secondary, Protein Structure, Tertiary, Proteolipids, Pulmonary Surfactants
UCL classification: UCL > School of BEAMS > Faculty of Engineering Science > Computer Science
URI: http://discovery.ucl.ac.uk/id/eprint/103225
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