Browsing by Author "Mulnaes, Daniel"

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    TopDomain dataset
    (N/A, 2021) Mulnaes, Daniel; Golchin, Pegah; Koenig, Filip; Gohlke, Holger
    This is the TopDomain dataset as described in: "TopDomain: Exhaustive Protein Domain Boundary Meta-Prediction Combining Multi-Source Information and Deep Learning" by Daniel Mulnaes, Pegah Golchin, Filip Koenig, and Holger Gohlke. This dataset contains two folder: training_set : Contains the fasta files of the TopDomain training set; test_set: Contains the fasta files of the TopDomain test set. Each fasta file has a header with three fields, in the following format: ">system_name|domain_type|boundary_list". Where: system_name contains the PDB ID and chain ID of the target protein; domain_type contains target type, either single-domain or multi-domain; boundary_list contains a list of residues annotated as domain boundaries separated by spaces, this field is empty for single-domain proteins as they have no domain boundaries. The sequence is the fasta-sequence of the protein, each line contains at most 100 residues of the protein sequence. No protein in the test set shares more than 20% sequence identity to any protein in the training set.
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    TopDomain dataset v2.0
    (N/A, 2021-05-01) Mulnaes, Daniel; Golchin, Pegah; Koenig, Filip; Gohlke, Holger
    This is the TopDomain dataset v2.0 as described in: "TopDomain: Exhaustive Protein Domain Boundary Meta-Prediction Combining Multi-Source Information and Deep Learning" by Daniel Mulnaes, Pegah Golchin, Filip Koenig, and Holger Gohlke. This dataset contains three folder: dataset : Contains the full dataset and the TopDomain and TopDomainSeq predictions for the dataset training_set : Contains the fasta files of the TopDomain training set test_set : Contains the fasta files of the TopDomain test set Each fasta file has a header with three fields, in the following format: >system_name|domain_type|boundary_list Where: system_name contains the PDB ID and chain ID of the target protein domain_type contains target type, either single-domain or multi-domain boundary_list contains a list of residues annotated as domain boundaries separated by spaces, this field is empty for single-domain proteins as they have no domain boundaries The sequence is the fasta-sequence of the protein each line contains at most 100 residues of the protein sequence No protein in the test set shares more than 20% sequence identity to any protein in the training set.
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    TopProperty dataset
    (N/A, 2021-07-07) Mulnaes, Daniel; Schott-Verdugo, Stephan; Koenig, Filip; Gohlke, Holger
    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 meta-predictor that predicts all of these features for TMPs or globular proteins. TopProperty predictions are robust, especially for proteins with few sequence homologs, and 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 web server and standalone at https://cpclab.uni-duesseldorf.de/topsuite/.