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Quantification of secondary structure prediction improvement using multiple alignments
Authors:Levin, Jonathan M.   Pascarella, Stefano   Argos, Patrick   Garnier, Jean
Affiliation:1United d'lngenierie des Proteuies, Biotechnologies INRA, 78352 Jouy-en-Josas, France 2European Molecular Biology Laboratory Meyerhofstrasse 1, Postfach 10 22 09, D-6900 Heidelberg, Germany 3Dipartimento di Scienze Biochimiche and Centro di Biologia Molecolare del Consiglio, Nazionale delle Ricercbe, Universita La Sapienza 1-00185 Roma Italy
Abstract:The use of multiple sequence alignments for secondary structurepredictions is analysed. Seven different protein families, containingonly sequences of known structure, were considered to providea range of alignment and prediction conditions. Using alignmentsobtained by spatial superposition of main chain atoms in knowntertiary protein structures allowed a mean of 8% in secondarystructure prediction accuracy, when compared to those obtainedfrom the individual sequences. Substitution of these alignmentsby those determined directly from an automated sequence alignmentalgorithm showed variations in the prediction accuracy whichcorrelated with the quality of the multiple alignments and distanceof the primary sequence. Secondary structure predictions canbe reliably improved using alignments from an automatic alignmentprocedure with a mean increase of 6.87percnt;, giving an overallprediction accuracy of 68.5%, if there is a minimum of 25% sequenceidentity between all sequences in a family.
Keywords:multiple sequence alignment/  prediction/  protein families/  secondary structure
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