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596. PROTEAN/I and PROTEAN/II
by James F. Brinkley, Craig C. Cornelius, Russ B.
Altman, John Brugge, Ruth Pachter, Bruce Buchanan and
Oleg Jardetzky, Stanford Magnetic Resonance Laboratory,
Stanford University, Stanford, California 94305 and
Enrico Adelmo Carrara, Istituto di Biofisica, Facoltà
di Medicina, Università degli Studi di Genova, Genoa,
Italia
This system consists of two separate modules: PROTEAN
I and PROTEAN II. These modules are used in the
determination of tertiary structures of proteins in
solution using NMR data.
PROTEAN/I is used for the tertiary structure of the
backbone. This is done by generating approximated
solution spaces in which the secondary structures are
approximated by stylized geometric objects. This
module allows a rough topology to be calculated in
cases in which the problem is very large and needs to
be solved in stages or in which data are very sparse.
PROTEAN/I produces a set of possible locations for each
structural element of the protein with respect to some
global coordinate system. PROTEAN/I is intended to be
a preprocessor to PROTEAN/II.
PROTEAN/II is a probability-based system for accurately
estimating structure and structural uncertainty. The
input to this module includes not only distance and
angleinformation but also
uncertainties associated with these data. The module
is able to calculate both the mean position of a set of
structures compatible with the supplied data and the
variance in the location of each atom within a
structure.
NOTE:Because of the directory structure which must
be preserved, this system will be distributed in
TAR format on a TK-50 ONLY.
C (DEC/ULTRIX)
Lines of Code: 3500
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