Mass Analysis Peptide Sequence Prediction

Mass Analysis Peptide Sequence Prediction

Combinatorical prediction of peptide sequences and their molecular weights.

The tool is helpful in de novo sequencing of homologous peptides as is the case with some neuropeptide hormones.

The program was originally designed to calculate variations and combinations of up to 10 amino acids, but was extended to 25 for additional functionality. This involves the calculation of combinations of all amino acid residues for short stretches within a given peptide when partial sequence and mass (MS/MS) information is available.

If a peptide ion has a mass of 1376.68 Da and MS/MS allows assignment of terminal amino acid residues such as QQDFVIxxxEGK then it is helpful to calculate possible residues for the missing stretch.

As the only modified amino acid residue pyroglutamic acid can be selected for the N-terminus. It counts as residue, not as terminus.

Number of amino acid residues

"Prediction of insect adipokinetic hormone sequences assists in de novo structure elucidation"
Rapid Communications in Mass Spectrometry, S. König, 2005, 19:2103-2104.

"Mass spectral signature for insect adipokinetic hormones"
Rapid Communications in Mass Spectrometry, S. König, C. Albers, G. Gäde, RCM 2005, 19:3021-3024.

© 2005 MAPSP was developed by Simone König and programmed by Martin Eisenacher (IFG, IZKF Münster, Germany).
The webinterface was generated by Jürgen de Braaf (cand. MScIS, University of Münster).

Comments to improvements and errors are greatly appreciated by Simone König.

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