Protein short loop prediction in terms of a structural alphabet.
Résumé
Loops connect regular secondary structures. In many instances, they are known to play crucial biological roles. To bypass the limitation of secondary structure description, we previously defined a structural alphabet composed of 16 structural prototypes, called Protein Blocks (PBs). It leads to an accurate description of every region of 3D protein backbones and has been used in local structure prediction. In the present study, we used our structural alphabet to predict the loops connecting two repetitive structures. Thus, we showed interest to take into account the flanking regions, leading to prediction rate improvement up to 19.8%, but we also underline the sensitivity of such an approach. This research can be used to propose different structures for the loops and to probe and sample their flexibility. It is a useful tool for ab initio loop prediction and leads to insights into flexible docking approach.
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Tyagi_Bornot_Offmann_de_Brevern_manuscript.pdf (217.5 Ko)
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inserm-00396485_edited.pdf (190.79 Ko)
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supplementary_data_1.doc (60.5 Ko)
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Origine : Fichiers produits par l'(les) auteur(s)
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