Successful ab initio prediction of the tertiary structure of NK-lysin using multiple sequences and recognized supersecondary structural motifs
✍ Scribed by Jones, David T.
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 114 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0887-3585
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✦ Synopsis
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 blindtesting this method on CASP2 target T0042 (pig NK-lysin) are presented. The predicted structure had a C␣ root-mean-square deviation of only 6.2 Å from the experimental structure (and less than 5.0 Å 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. Proteins,