公开(公告)号：US20170336419A1

公开(公告)日：2017-11-23

申请号：US15599431

申请日：2017-05-18

Applicant: BIOINFORMATICS SOLUTIONS INC.

Inventor： Ngoc Hieu TRAN ,  Mohammad Ziaur RAHMAN ,  Lin HE ,  Lei XIN ,  Baozhen SHAN ,  Ming LI

IPC: G01N33/68 ,  G06F19/22 ,  G06F19/26

CPC classification number: G01N33/6818 ,  G01N33/6848 ,  G01N33/6854 ,  G01N2560/00 ,  G06F19/22 ,  G06F19/24 ,  G06F19/26

Abstract: Methods and systems for determining amino acid sequence of a polypeptide or protein from mass spectrometry data is provided, using a weighted de Bruijn graph. Extracted and purified protein is cleaved into a mixture of peptide and then analyzed using mass spectrometry. A list of peptide sequences is derived from mass spectrometry fragment data by de novo sequencing, and amino acid confidence scores are determined from peak fragment ion intensity. A weighted de Bruijn graph is constructed for the list of peptide sequences having node weights defined by k−1 mer confidence scores. At least one contig is assembled from the de Bruijn graph by identifying node weights having the highest k-1 mer confidence scores.