Application of neural networks to automated assignment of NMR spectra of proteins.

Abstract:

:Simulated neural networks are described which aid the assignment of protein NMR spectra. A network trained to recognize amino acid type from TOCSY data was trained on 148 assigned spin systems from E. coli acyl carrier proteins (ACPs) and tested on spin systems from spinach ACP, which has a 37% sequence homology with E. coli ACP and a similar secondary structure. The output unit corresponding to the correct amino acid is one of the four most activated units in 83% of the spin systems tested. The utility of this information is illustrated by a second network which uses a constraint satisfaction algorithm to find the best fit of the spin systems to the amino acid sequence. Application to a stretch of 20 amino acids in spinach ACP results in 75% correct sequential assignment. Since the output of the amino acid type identification network can be coupled with a variety of sequential assignment strategies, the approach offers substantial potential for expediting assignment of protein NMR spectra.

journal_name

J Biomol NMR

authors

Hare BJ,Prestegard JH

doi

10.1007/BF00178334

subject

Has Abstract

pub_date

1994-01-01 00:00:00

pages

35-46

issue

1

eissn

0925-2738

issn

1573-5001

journal_volume

4

pub_type

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