Document 0965 DOCN M9650965 TI PdbAlign, PdbDist and DistAlign: tools to aid in relating sequence variability to structure. DT 9505 AU Sayle R; Saqi M; Weir M; Lyall A; Department of Biomolecular Structure, Glaxo Medicines Research; Centre, Stevenage, Herts, UK. SO Comput Appl Biosci. 1995 Oct;11(5):571-3. Unique Identifier : AIDSLINE MED/96163640 AB Many sequence analysis problems involve consideration of a multiple sequence alignment where the 3-dimensional structure of one (or more) of the aligned sequences is known. In such cases, it is useful to map the sequence variability onto the atomic co-ordinates of known structure. If the structure also includes a bound ligand (or the location of the active site is known), each column position in the multiple sequence alignment may be annotated with its 'distance' from the binding site. These annotations, together with a measure of sequence variability, provide additional insights into drug specificity, for example among viral mutants. This paper describes several useful programs that automate this analysis. DE Amino Acid Sequence Binding Sites/GENETICS HIV Protease/CHEMISTRY/GENETICS Models, Molecular Molecular Sequence Data Molecular Structure Protein Conformation Proteins/CHEMISTRY/*GENETICS Sequence Alignment/*METHODS/STATISTICS & NUMER DATA Sequence Homology, Amino Acid *Software *Variation (Genetics) JOURNAL ARTICLE SOURCE: National Library of Medicine. NOTICE: This material may be protected by Copyright Law (Title 17, U.S.Code).