PROANAL ver 2.0 SUBMISSION FORM Present title and address:Leading scientist, Principal investigator Theoretical Department Research Institute of Molecular Biology, State Recearch Center of Virology and Biotechnology "Vector", Koltsovo, Novosibirsk Region 633159 Russia Tel: +7 (3832) - 64 7774 work +7 (3832) - 64 7616 home Telex: 133196 NPO SU, Fax: +7 (3832) - 328831 E.mail: eroshkin@vector.nsk.su Program description is published in: Eroshkin A.M., Fomin V.I., Zhilkin P.A. Algorithm and computer program ProAnal for analysis of relationship between structure and activity in a family of proteins or peptides. CABIOS, vol 9, 491-497, 1993 Short description: Analysis of multiple protein alignments, studying the structure-function and structure-activity relationships in protein/peptide families, enhanced version of program PROANAL for IBM PC/AT or clone. New options: convert alignments from CLUSTAL, plots individual and average profiles, seeks physico- chemically variable and conservative regions, sites with high and low physico-chemical properties, has large set of aa properties, complete manual, help. Operating system: MS-DOS Hardware requirements: EGA/VGA card Copyright status: Copyrighted, but free (Freeware) -------------------------------------------------------------------- Pro_Anal PROTEIN STRUCTURE-ACTIVITY ANALYZING SYSTEM VERSION 1.0 Beta 1993 distributed freely Pro_Anal was written for the analysis of relationships between structure and activity in a family of evolutionary related (or/and artificially mutated) proteins/peptides. The program uses aligned amino acid sequences with data on their activity (pK, Km, ED50 or any other) and searches for correlations between activity data and various physical-chemical characteristics of regions in the primary structure. In automatical mode the program generates and verifies hypotheses on the location of a sequential modulating region in a protein and key characteristics of this region. In manual mode users can generate and analyze their own hypotheses. In addition, the program looks for protein conservative domains (functional sites) and variable regions (sites for engineering). This program is the enhanced version of the program described in: -------------------------------------------------------------------- Eroshkin A.M., Zhilkin P.A., Fomin V.I. Algorithm and computer program Pro_Anal for analysis of relationship between structure and activity in a family of proteins or peptides. CABIOS, 1993, v.9, n.5, 491-497. --------------------------------------------------------------------- The improvements are the following: - it is not necessary to input the thresholds for correlation coefficients in "Automatical Mode"; - in addition to the search of modulating centers it is possible to find regions conservative (or variable) in changes of average properties, alpha-helical and beta-strand moments and other characteristics. Program is implemented for IBM PC or compatible computers. It is designed to be easily handled by any occasional computer user and yet it is powerful enough for experienced professionals. This version of the program is distributed freely. The distribution diskette contains the following files: READ.ME | This file PRO_ANAL.EXE | Executing modules BROWSE.COM | BROWSE.COM | BROW.EXE | EGAVGA.BGI | HELP.TXT | MANUAL.TXT | Program description ARTICLE | KIDERA.PPT | Amino acid physico-chemical properties PROPERTY.PPT | DISINT.ALI | Data of examples (two sets) DISINT.ACT | DISINT.SEQ | IMMUNOGE.ALI | IMMUNOGE.ACT | IMMUNOGE.SEQ | All listed files should be in the same directory. There are two examples on the distribution disk: DISINT (files DISINT.SEQ, DISINT.ACT, DISINT.ALI) - family of disintegrins with studied activity in test of inhibition of platelet aggregation; IMMUNOGE (files IMMUNOGE.SEQ, IMMUNOGE.ACT, IMMUNOGE.ALI) - a number of unrelated peptides with tested immunogenicity. Authors address: Eroshkin Alexey EROSHKIN@VECTOR.NSK.SU Research Institute of Tel.+7-(3832)-64-77-74 Molecular Biology, Fax:+7-(3832)-32-88-31 NPO "Vector", Koltsovo, Telex 133196 NPOSU Novosibirsk region, 633159, Russia. Peter Zhilkin zhilkin@zeno.ibd.nrc.ca IBD NRC Tel: +1-204-984-4540 435 Ellice Ave. Winnipeg Fax: +1-204-984-5472 Manitoba R3B 1Y6 Canada