Journal Article

FZJ-2021-04291

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png TopProperty: Robust Metaprediction of Transmembrane and Globular Protein Features Using Deep Neural Networks

Mulnaes, D. ; Schott, S.FZJ* ; Koenig, F. ; Gohlke, H. (Corresponding author)FZJ*

2021
Washington, DC

This record in other databases:    

Please use a persistent id in citations: http://hdl.handle.net/2128/29043  doi:10.1021/acs.jctc.1c00685

Abstract: Transmembrane proteins (TMPs) are critical components of cellular life. However, due to experimental challenges, the number of experimentally resolved TMP structures is severely underrepresented in databases compared to their cellular abundance. Prediction of (per-residue) features such as transmembrane topology, membrane exposure, secondary structure, and solvent accessibility can be a useful starting point for experimental design or protein structure prediction but often requires different computational tools for different features or types of proteins. We present TopProperty, a metapredictor that predicts all of these features for TMPs or globular proteins. TopProperty is trained on datasets without bias toward a high number of sequence homologs, and the predictions are significantly better than the evaluated state-of-the-art primary predictors on all quality metrics. TopProperty eliminates the need for protein type- or feature-tailored tools, specifically for TMPs. TopProperty is freely available as a web server and standalone at https://cpclab.uni-duesseldorf.de/topsuite/.

---

Contributing Institute(s):

1. Bioinformatik (IBG-4)
2. Jülich Supercomputing Center (JSC)
3. John von Neumann - Institut für Computing (NIC)
4. Strukturbiochemie (IBI-7)

Research Program(s):

1. 2171 - Biological and environmental resources for sustainable use (POF4-217) (POF4-217)
2. 2172 - Utilization of renewable carbon and energy sources and engineering of ecosystem functions (POF4-217) (POF4-217)
3. 5111 - Domain-Specific Simulation Data Life Cycle Labs (SDLs) and Research Groups (POF4-511) (POF4-511)
4. Forschergruppe Gohlke (hkf7_20200501) (hkf7_20200501)
5. DFG project 267205415 - SFB 1208: Identität und Dynamik von Membransystemen - von Molekülen bis zu zellulären Funktionen (267205415)

Appears in the scientific report 2021

---

Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

---