Properties of intraglobular contacts in proteins: An approach to prediction of tertiary structure

Stanislav G. Galaktionov, Garland R. Marshall

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

23 Scopus citations

Abstract

Matrices of intraglobular contacts and vectors of coordination numbers derived from the amino acid sequence form the basis for computer procedures for the analysis and prediction of the tertiary structure of proteins. Three main modules perform: 1) prediction of the plot of residue-coordination numbers (number of contacts) on the basis of amino-acid sequence; 2) calculation of the matrix of intraglobular contacts on the basis of coordination-numbers plot and amino-acid sequence; and 3) reconstruction of the three-dimensional structure starting with the contact matrix. This approach provides insight into important regularities governing globule formation, for example, problems of interior/exterior residue distribution and apparent residue-residue affinities. The current state of development is illustrated by calculation of the three-dimensional structure of sea snake neurotoxin.

Original languageEnglish
Title of host publicationProceedings of the Hawaii International Conference on System Sciences
EditorsJay F. Nunamaker, Ralph H.Jr. Sprague
PublisherPubl by IEEE
Pages326-335
Number of pages10
ISBN (Print)0818650907
StatePublished - Jan 1 1995
EventProceedings of the 27th Hawaii International Conference on System Sciences (HICSS-27). Part 4 (of 5) - Wailea, HI, USA
Duration: Jan 4 1994Jan 7 1994

Publication series

NameProceedings of the Hawaii International Conference on System Sciences
Volume5
ISSN (Print)1060-3425

Conference

ConferenceProceedings of the 27th Hawaii International Conference on System Sciences (HICSS-27). Part 4 (of 5)
CityWailea, HI, USA
Period01/4/9401/7/94

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