journal article·2025-06-09Open access

A Compressed Sequence Tag Index for Fast Peptide Retrieval and Efficient Storage in Protein Identification Search Engines

Xiaoyu Xie, Yuyue Feng, Piyu Zhou, Di Zhang, Lijin Yao, Haipeng Wang

Applied Sciences· Volume 15· Issue 12

Abstract

Proteins regulate various cellular processes and are of great biological interest. The protein search engine is a crucial tool in proteomics research, used to analyze high-throughput tandem mass spectrometry data and to identify protein sequence information. A core step in protein search engines is constructing sequence tag indexes and performing the rapid retrieval of protein databases. However, as the scale of protein sequence data continues to grow, traditional protein search engines face the dual challenges of the high storage cost of sequence tag indexes and low retrieval efficiency. To address these issues, we propose a sequence tag index scheme named STIP, which is based on an inverted index and compression techniques. Based on STIP, we design a peptide retrieval algorithm named STIP-Search. This algorithm utilizes the sequence tag index constructed by STIP for peptide sequence retrieval. STIP uses the greedy algorithm to partition the tag index into blocks; in this way, STIP can generate tag indexes for very large protein databases, such as NCBI-nr. Compared to the current four mainstream tag index generation algorithms used in Open-pFind, MODplus, TIIP and PIPI2, STIP has the lowest storage and time consumption. It utilizes delta encoding, index reduction, and dynamic bit width encoding to compress the tag index, reducing the storage cost by 76.2%. Compared to TIIP, which is currently the algorithm with the lowest time complexity, the time cost of the peptide sequence retrieval of STIP-Search is reduced by 8.94% to 23.31%.
Source: crossref · Quality: baseline

Research context

OpenAlex topics: Advanced Proteomics Techniques and Applications · Machine Learning in Bioinformatics · Genomics and Phylogenetic Studies

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Computer Science and Technology, Shandong University of Technology, Zibo 255000, China

State Key Laboratory of Mathematical Science, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing 100190, China

University of Chinese Academy of Sciences, Beijing 100049, China

Beijing Institute of Mathematical Sciences and Applications, Beijing 101408, China

Funding

Outstanding Youth Innovation Teams in Higher Educational Institutions of Shandong Province

References (33)

Show source-provided references
1. Error-Tolerant Identification of Peptides in Sequence Databases by Peptide Sequence Tags10.1021/ac00096a002 ↗
2. A deeper look into Comet–implementation and features10.1007/s13361-015-1179-x ↗
3. ContraNovo: A Contrastive Learning Approach to Enhance De Novo Peptide Sequencing10.1609/aaai.v38i1.27765 ↗
4. Zhou, R., Zhao, H., Zhong, J., and Duan, G. (2024, January 16). PepGPL: A Multi-Task Framework for Identifying Peptide-Protein Interactions and Corresponding Binding Residues. Proceedings of the 15th ACM International Conference on Bioinformatics, Computational Biology and Health Informatics, New York, NY, USA.10.1145/3698587.3701348 ↗
5. A suffix tree approach to the interpretation of tandem mass spectra: Applications to peptides of non-specific digestion and post-translational modifications10.1093/bioinformatics/btg1068 ↗
6. TagGraph reveals vast protein modification landscapes from large tandem mass spectrometry datasets10.1038/s41587-019-0067-5 ↗
7. PEAKS: Powerful software for peptide de novo sequencing by tandem mass spectrometry10.1002/rcm.1196 ↗
8. PIPI2: Sensitive Tag-Based Database Search to Identify Peptides with Multiple Post-translational Modifications10.1021/acs.jproteome.3c00819 ↗
9. IndexToolkit: An open source toolbox to index protein databases for high-throughput proteomics10.1093/bioinformatics/btl410 ↗
10. Zhou, C., Chi, H., Wang, L.-H., Li, Y., Wu, Y.-J., Fu, Y., Sun, R.-X., and He, S.-M. (2010). Speeding up tandem mass spectrometry-based database searching by longest common prefix. BMC Bioinform., 11.10.1186/1471-2105-11-577 ↗
11. Speeding up tandem mass spectrometry based database searching by peptide and spectrum indexing10.1002/rcm.4448 ↗
12. pFind-Alioth: A novel unrestricted database search algorithm to improve the interpretation of high-resolution MS/MS data10.1016/j.jprot.2015.05.009 ↗
13. MSFragger: Ultrafast and comprehensive peptide identification in mass spectrometry-based proteomics10.1038/nmeth.4256 ↗
14. Comprehensive identification of peptides in tandem mass spectra using an efficient open search engine10.1038/nbt.4236 ↗
15. MODplus: Robust and Unrestrictive Identification of Post-Translational Modifications Using Mass Spectrometry10.1021/acs.analchem.9b02445 ↗
16. Fast Multi-blind Modification Search through Tandem Mass Spectrometry10.1074/mcp.M111.010199 ↗
17. A New Tag Index Scheme Enables Fast Peptide Retrieval for Protein Identification
18. IsAProteinDB: An Indexed Database of Trypsinized Proteins for Fast Peptide Mass Fingerprinting10.1109/TCBB.2016.2564964 ↗
19. Maabreh, M., Gupta, A., and Saeed, F. (2016, January 18–22). A parallel peptide indexer and decoy generator for crux tide using OpenMP. Proceedings of the 2016 International Conference on High Performance Computing & Simulation (HPCS), Innsbruck, Austria.10.1109/HPCSim.2016.7568364 ↗
20. Haseeb, M., and Saeed, F. (2019, January 18–21). Efficient Shared Peak Counting in Database Peptide Search Using Compact Data Structure for Fragment-Ion Index. Proceedings of the 2019 IEEE International Conference on Bioinformatics and Biomedicine (BIBM), San Diego, CA, USA.10.1109/BIBM47256.2019.8983152 ↗
21. Efficient indexing of peptides for database search using Tide10.1021/acs.jproteome.2c00617 ↗
22. Faster SEQUEST searching for peptide identification from tandem mass spectra10.1021/pr101196n ↗
23. Kim, H., Mirdita, M., and Steinegger, M. (2023). Foldcomp: A library and format for compressing and indexing large protein structure sets. Bioinformatics, 39.10.1093/bioinformatics/btad153 ↗
24. ProteomeTools: Systematic Characterization of 21 Post-translational Protein Modifications by Liquid Chromatography Tandem Mass Spectrometry (LC-MS/MS) Using Synthetic Peptides10.1074/mcp.TIR118.000783 ↗
25. Grumbach, S., and Tahi, F. (April, January 30). Compression of DNA sequences. Proceedings of the Proceedings DCC93: Data Compression Conference, Snowbird, UT, USA.
26. PatternHunter: Faster and more sensitive homology search10.1093/bioinformatics/18.3.440 ↗
27. Lightweight algorithms for constructing and inverting the BWT of string collections10.1016/j.tcs.2012.02.002 ↗
28. Technical perspective: The compression power of the BWT10.1145/3531443 ↗
29. Application of improved LZW compression algorithm based on CZ-BWT in power message
30. Pfp-fm: An accelerated FM-index10.1186/s13015-024-00260-8 ↗
31. An optimized FM-index library for nucleotide and amino acid search10.1186/s13015-021-00204-6 ↗
32. Wang, R., and Zhang, Y. (2024). Accelerating spliced alignment of long RNA sequencing reads using parallel maximal exact match retrieval. Comput. Biol. Med., 175.10.1016/j.compbiomed.2024.108542 ↗
33. Enabling fast and energy-efficient FM-index exact matching using processing-near-memory10.1007/s11227-021-03661-3 ↗