• Today's tools are increasingly internet aware, often integrated tightly with structure databases ( Table 1 ), as well as with databases containing sequences and other features (for example, domains, single-nucleotide polymorphisms (SNPs), interactions). (nature.com)
  • It can align both protein and DNA sequences, and expects inputs to be in fasta format. (arizona.edu)
  • Additionally, Kpax version 5.0.0 can perform flexible structure alignments, multiple structure alignments, and multiple flexible structure alignments, and it can score alignments calculated by other programs, provided they are defined in a PIR or FASTA format alignment file. (loria.fr)
  • are you aware of any tool that is able to perform error-tolerant pattern-matching search on protein FASTA files? (stackexchange.com)
  • This method is applicable to any structure as it does not require the identification of sequence or structural similarity to a protein of known function. (nih.gov)
  • We develop a Bayesian model for the alignment of two point configurations under the full similarity transformations of rotation, translation and scaling. (whiterose.ac.uk)
  • this is known as form analysis.We concentrate on a Bayesian formulation for statistical shape analysis.We generalize the model introduced by Green and Mardia [Biometrika 93 (2006) 235-254] for the pairwise alignment of two unlabeled configurations to full similarity transformations by introducing a scaling factor to the model. (whiterose.ac.uk)
  • We also performed searches of a representative set of the Protein Data Bank (PDB) using our program and detected structurally similarity between several distantly related proteins. (aaai.org)
  • Manual alignment and sequence analysis are facilitated by using group operations and amino acid color-coding reflecting amino acid similarity in physico-chemical and mutational properties, secondary structure propensities, etc. (bio.net)
  • It uses Gaussian functions to score very rapidly the local and spatial environment of each amino acid residue in a protein, and it uses dynamic programming to find the optimal global alignment of two proteins according to their Gaussian similarity scores. (loria.fr)
  • Kpax makes an initial structure-based alignment (but not superposition) by using its local and global similarity measures between each possible pair of amino each residues in a single round of dynamic programing with secondary structure-specific gap penalties. (loria.fr)
  • For those alignments with the best global alignment scores, Kpax uses the initial residue equivalences to calculate a 3D superposition which is then refined using a few further rounds of dynamic programming with a distance-based Gaussian similarity scoring function. (loria.fr)
  • Details of the algorithms used in Opal are available in the original ISMB paper, which should be cited in the event Opal is used: Wheeler, T.J. and Kececioglu, J.D. Multiple alignment by aligning alignments, Proceedings of the 15th ISCB Conference on Intelligent Systems for Molecular Biology (ISMB), Bioinformatics 23, i559-i568, 2007. (arizona.edu)
  • Details of this approach are available in the following paper, which should be cited if secondary-structure-based alignment is performed: Kim, E., Wheeler, T.J., and Kececioglu, J.D. Learning models for aligning protein sequence with predicted secondary structure, Proceedings of the 13th Conference on Research in Computational Molecular Biology (RECOMB), Springer-Verlag Lecture Notes in Bioinformatics 5541: 586-605, 2009. (arizona.edu)
  • The course aims to provide basic knowledge in bioinformatics, namely the theories and practical applications of computer-based methods for the analysis of DNA and protein sequences as well as for studies of protein structures. (liu.se)
  • Use of bioinformatics for functional characterization of genes and proteins. (liu.se)
  • The tertiary structure of proteins provides crucial information for understanding molecular mechanisms of biological functions. (biomedcentral.com)
  • C4orf19 encodes a protein with 314 amino acids and a molecular weight of 33.7 kDa. (wikipedia.org)
  • A molecular dynamic (MD) modeling approach was applied to evaluate the effect of external electric field on gliadin protein structure and surface properties. (mdpi.com)
  • Structural biology is rapidly accumulating a wealth of detailed information about protein function, binding sites, RNA, large assemblies and molecular motions. (nature.com)
  • Molecular biologists view RNA structures and complexes with proteins to gain insight into RNA signal and message processing. (nature.com)
  • Some aspects of structure visualization remain mostly the domain of the specialist, such as molecular motion and large-scale molecular assemblies. (nature.com)
  • The book is organized into clusters of chapters on the following topics:* Overview of modern molecular biology and a broad spectrum of techniques from computer science - data mining, machine learning, mathematical modeling, sequence alignment, data integration, workflow development, etc. (whsmith.co.uk)
  • Dobson, PD & Doig, AJ 2005, ' Predicting enzyme class from protein structure without alignments ', Journal of molecular biology , vol. 345, no. 1, pp. 187-199. (manchester.ac.uk)
  • A detailed understanding of the molecular biology of parasitic helminths, and in particular of the structure and function of key genes and gene products playing essential roles in host-parasite interactions, could provide a basis for the design of novel therapeutics. (biomedcentral.com)
  • A molecular modeling of the structure of L. miliaris Hb, on the other hand, allows us to conclude that the residues Glu43β(CD2) and Glu101β(G3) are not essential in the maintenance of the tetrameric form, supporting our findings and allowing us to rule out the hypothesis proposed in the literature for the Hb of Liophis miliaris and other species of snakes. (eurekaselect.com)
  • Phylogenetic and amino acid comparison of highly and less neuroinvasive lineage 2 strains demonstrated that the nonstructural genes, especially the nonstructural protein 5 gene, were most variable. (cdc.gov)
  • Mutations leading to loss of envelope (E) protein glycosylation together with mutations in the nonstructural (NS) protein genes may be associated with attenuation of these viruses ( 6 ). (cdc.gov)
  • The genes encoding CaaX protein prenyltransferases are considerably longer than those encoding non-CaaX subunits, as a result of longer introns. (biomedcentral.com)
  • The genomic organization of the human genes that encode protein prenyltransferases is shown in Figure 1 . (biomedcentral.com)
  • Gene structures and chromosomal locations of human protein prenyltransferase subunit genes. (biomedcentral.com)
  • (b) genes encoding non-CaaX protein prenyltransferases are much shorter. (biomedcentral.com)
  • Automatic comparisons of data from expressed sequence tags (ESTs) with genes (for example using the program Acembly, for which the results are available from the NCBI AceView server [ 2 ]) shows that all the human protein prenyltransferase genes have multiple alternative splice variants. (biomedcentral.com)
  • The chromosomal locations and number of exons from protein prenyltransferase genes in the major eukaryotic model organisms are shown in Table 2 . (biomedcentral.com)
  • This entailed mining available transcriptomic and/or genomic sequence datasets for the presence of homologues of known TIMPs, predicting secondary structures of defined protein sequences, systematic phylogenetic analyses and assessment of differential expression of genes encoding putative TIMPs in the developmental stages of A. suum , N. americanus and Schistosoma haematobium which infect the mammalian hosts. (biomedcentral.com)
  • Amongst orthologous proteins, the N-terminus and C-terminus of C4orf19 are most highly conserved. (wikipedia.org)
  • Alpha helices are predicted near the N-terminus and C-terminus of C4orf19 in areas that are conserved amongst orthologous proteins. (wikipedia.org)
  • Here, we describe a method that can assign function from structure without the use of algorithms reliant upon alignments. (manchester.ac.uk)
  • Important basic algorithms for pair wise alignment, computations of phylogenic trees, physical mapping of sequences, gene finding, multiple sequence alignment, heuristic sequence alignment and exact string matching will be discussed. (universiteitleiden.nl)
  • For rigid structural alignments , Kpax tends to call fewer aligned residues than other structure alignment algorithms, but the superposed structures often give lower root mean squared deviations (RMSDs) between the aligned backbone alpha carbon atoms. (loria.fr)
  • Incisive discussion of computational prediction of secondary structure of RNA sequences. (whsmith.co.uk)
  • Bioinformatic analysis consisted in the generation of alignments with the retrieved sequences among themselves and also using heterologous sequences of interest, the generation of phylogenetic trees, the prediction of secondary and 3-D structures of the encoded proteins, their cell localization and their potential posttranslational modifications including phosphorylation, potential S-nitrosylation, acetylation, miristoylation or palmitoylation, as well as potential excisions. (ugr.es)
  • Using in planta nucleotide-resolution mRNA structurome probing, we discovered that this stress-induced switch in translation is mediated by highly structured regions detected downstream of uAUGs in TE-up transcripts. (biorxiv.org)
  • The structure reveals specific recognition of the 3' nucleotide of the terminator by a conserved pocket involving a β-turn-α-helix motif, while the hairpin portion of the terminator is recognized by a conserved α-helical N-cap motif. (nature.com)
  • Examples of this kind of meta data are secondary structures (RNA and protein), protein hydrophobicity assignments, or other alternative alphabets for polypeptides, sequence quality data and nucleotide alignments with translations. (metacpan.org)
  • I'm uncertain how ambiguous bases are treated for proteins, as opposed to nucleotide searches, but that might be an avenue to explore. (stackexchange.com)
  • The iterative threading assembly refinement (I-TASSER) server is an integrated platform for automated protein structure and function prediction based on the sequence-to-structure-to-function paradigm. (zbmath.org)
  • Starting from an amino acid sequence, I-TASSER first generates three-dimensional (3D) atomic models from multiple threading alignments and iterative structural assembly simulations. (zbmath.org)
  • C4orf19 (Chromosome 4 open reading frame 19) is a protein which in humans is encoded by the C4orf19 gene. (wikipedia.org)
  • The ProQ/FinO family of RNA binding proteins mediate sRNA-directed gene regulation throughout gram-negative bacteria. (nature.com)
  • Ribosome stalling in the leader causes the destabilization of the downstream secondary structure, allowing initiation of translation of the Cm resistance gene. (nih.gov)
  • Polycomb Group (PcG) proteins are a family of protein complex that regulate gene expression, especially repressing gene transcription [ 1 ]. (hindawi.com)
  • As one of the two distinct complexes, namely, Polycomb Repressive Complex 1 (PRC1) and PRC2, PRC2 mediates gene silencing by modulating chromatin structure [ 2 ]. (hindawi.com)
  • Alternative splicing of gene can generate multiple transcripts and proteins to regulate tissue and organ development [ 17 ]. (hindawi.com)
  • Case studies on analysis of phylogenies, functional annotation of proteins, construction of purpose-built integrated biological databases, and development of workflows underlying the large-scale-effort gene discovery. (whsmith.co.uk)
  • The output from a typical server run contains full-length secondary and tertiary structure predictions, and functional annotations on ligand-binding sites, Enzyme Commission numbers and Gene Ontology terms. (zbmath.org)
  • She has used code-breaking strategies to predict protein structures and applied computational techniques to drug discovery. (technologyreview.com)
  • Overview of computational prediction of protein cellular localization, and selected discussions of inference of protein function. (whsmith.co.uk)
  • We describe 1178 high-resolution proteins in a structurally non-redundant subset of the Protein Data Bank using simple features such as secondary-structure content, amino acid propensities, surface properties and ligands. (nih.gov)
  • The function of the protein is then inferred by structurally matching the 3D models with other known proteins. (zbmath.org)
  • The second step in our algorithm is based on the atomic coordinates of the protein structures and improves the initial vector alignment by iteratively minimizing the RMSD between pairs of nearest atoms from the two proteins. (aaai.org)
  • We refine the final alignment by determining a core of well aligned atoms and minimizing the RMSD of this core. (aaai.org)
  • We found that overall the residue contact pattern can distinguish protein folds best when contacts are defined for residue pairs whose Cβ atoms are at 7.0 Å or closer to each other. (biomedcentral.com)
  • The rest of this section is a `hands on' description of the most basic use of M ODELLER in comparative modeling, in which the input are Protein Data Bank (PDB) atom files of known protein structures, and their alignment with the target sequence to be modeled, and the output is a model for the target that includes all non-hydrogen atoms. (salilab.org)
  • suppresses warning messages about missing atoms/residues in the experimental structure. (mmtsb.org)
  • Tissue inhibitors of metalloproteases (TIMPs) are a multifunctional family of proteins that orchestrate extracellular matrix turnover, tissue remodelling and other cellular processes. (biomedcentral.com)
  • To seek the most effective definition of residue contacts for template-based protein structure prediction, we evaluated 45 different contact definitions, varying bases of contacts and distance cutoffs, in terms of their ability to identify proteins of the same fold. (biomedcentral.com)
  • This tutorial will illustrate how to use the MMTSB Tool Set to access a variety of tools for template-based protein structure prediction. (mmtsb.org)
  • The ability to predict protein function from structure is becoming increasingly important as the number of structures resolved is growing more rapidly than our capacity to study function. (nih.gov)
  • We compare the method to sequence-based methods that also avoid calculating alignments and predict a recently released set of unrelated proteins. (nih.gov)
  • We predict this structure to be a membrane protein. (expasy.org)
  • We apply our methods to predict the function of every currently unclassified protein in the Protein Data Bank. (manchester.ac.uk)
  • Does it match the function of the protein that we want to predict? (mmtsb.org)
  • These improvements, which are novel for structural alignment, are direct analogs of what is possible with normal sequence alignment. (aaai.org)
  • They are feasible for us since our basic structural alignment procedure, unlike others, is so similar to normal sequence alignment. (aaai.org)
  • In other words, Kpax makes a clear distinction between structural alignment and structural superposition. (loria.fr)
  • As well as being very fast, Kpax writes complete PDB files of the calculated pair-wise superpositions, and information about each structural alignment and superposition in several formats. (loria.fr)
  • Furthermore, the important field of protein structure prediction will be covered with the study of homology modeling, fold recognition, knowledge based potentials and ab initio methods for structure prediction. (universiteitleiden.nl)
  • The problems of protein fold recognition and remote homology detection have recently attracted a great deal of interest as they represent challenging multi-feature multi-class problems for which modern pattern recognition methods achieve only modest levels of performance. (videolectures.net)
  • A total of 15 protein sequences with high homology to known eukaryotic TIMPs were predicted from the complement of sequence data available for parasitic helminths and subjected to in-depth bioinformatic analyses. (biomedcentral.com)
  • We show how a basic pairwise alignment procedure can be improved to more accurately align conserved structural regions, by using variable, position-dependent gap penalties that depend on secondary structure and by taking the consensus of a number of suboptimal alignments. (aaai.org)
  • Our approach is based on finding a "median" structure from doing all possible pairwise alignments and then aligning everything to it. (aaai.org)
  • Areas that will be covered include: sequence databases, pairwise and multiple sequence alignment, searches in sequence databases, amino acid substitution matrices, secondary structure, prediction of RNA and polypeptides, and models for protein classification. (lu.se)
  • abstract = "Methods for predicting protein function from structure are becoming more important as the rate at which structures are solved increases more rapidly than experimental knowledge. (manchester.ac.uk)
  • It has been proposed that ribosome scanning and start codon selection are regulated by elements in the 5' leader sequence, such as RNA primary sequences (for example, the Kozak sequence context), upstream open reading frames (uORFs), secondary structures, and RNA modifications 4 - 7 . (biorxiv.org)
  • In translation attenuation, the ribosome-binding-site (RBS) for the resistance determinant is sequestered in a secondary structure domain within the mRNA. (nih.gov)
  • In the case of threading, alignment accuracy strongly influences the fraction of common contacts identified among proteins of the same fold, which eventually affects the fold recognition accuracy. (biomedcentral.com)
  • Students will be introduced to biological sequence data (DNA and protein sequences, whole genomes, learn to access major sequence databases and use a variety of web-based services. (uit.no)
  • Using fluorescence resonance energy transfer (FRET), we detected major changes in the conformation of a constituent ECM protein , fibronectin (Fn), as cells fabricated a thick three-dimensional (3D) matrix over the course of three days. (rsc.org)
  • This approach allows very fast searches of structural databases, and it allows three-dimensional superpositions of proteins to be calculated rapidly. (loria.fr)
  • The primary aim of the course is that the students shall acquire deeper understanding of, and skills in, basic concepts and tools for comparative sequence analysis, including various types of primary and secondary sequence databases. (lu.se)
  • For proteins that are highly dissimilar or are only similar to proteins also lacking functional annotations, these methods fail. (nih.gov)
  • As a result, protein structures now frequently lack functional annotations. (manchester.ac.uk)
  • The eponymous FinO protein was discovered as a regulator of F plasmid conjugation nearly 50 years ago, and acts to bind a single partner sRNA called FinP to stabilize FinP and facilitate its interactions with its antisense partner, the mRNA encoding the major F plasmid transcription factor, TraJ 5 . (nature.com)
  • Effective encoding of residue contact information is crucial for protein structure prediction since it has a unique role to capture long-range residue interactions compared to other commonly used scoring terms. (biomedcentral.com)
  • Among various structure-based terms, residue-residue contact potentials[ 21 - 23 ] are unique in that they capture long-range interactions in a protein structure[ 24 ]. (biomedcentral.com)
  • Overview of methods for discovering protein-protein interactions. (whsmith.co.uk)
  • Protein structure consists of several levels of organization, each of which assembles through specific bonding and/or intermolecular interactions. (letsdiscussbooksideasconceptsandmuchmore.com)
  • Structure-guided mutagenesis reveals key RNA contact residues that are critical for RocC/RocR to repress the uptake of environmental DNA in L. pneumophila . (nature.com)
  • The seven conserved helicase motifs, the point mutations of BLM protein as well as the insertion and deletions are displayed above the sequences, the ATP-binding (à  ) and DNA-binding residues (à ¤) of PcrA helicase are shown (24-26). (lu.se)
  • To survive stress, eukaryotes selectively translate stress-related transcripts while inhibiting growth-associated protein production. (biorxiv.org)
  • In eukaryotes, protein translation is normally cap-dependent. (biorxiv.org)
  • Multiple sequence comparisons and multiple sequence fitting (alignment). (liu.se)
  • In this review, we focus on key biological questions where visualizing three-dimensional structures can provide insight and describe available methods and tools. (nature.com)
  • i ) Superposition is commonly used to compare two or more related structures-for example, two distinct states of the same protein, or, as shown here, two separate proteins with similar structure (PDB 1QCF and 1FMK ) 98 . (nature.com)
  • We use the support vector machine-learning algorithm to develop models that are capable of assigning the protein class. (nih.gov)
  • In this paper we present a new algorithm for the comparison of proteins based on a hierarchy of structural representations, from the secondary structure level to the atomic level. (aaai.org)
  • The scores obtained are used in a dynamic programming algorithm that finds the best local alignment of the two sets of vectors. (aaai.org)
  • Automatic alignment is based on ClustalV algorithm. (bio.net)
  • For flexible alignments , Kpax applies its rigid alignment algorithm recursively to the dynamic programming problem in order to divide the task into multiple sub-problems. (loria.fr)
  • Using simple attributes that can be calculated from any crystal structure, such as secondary structure content, amino acid propensities, surface properties and ligands, we describe each enzyme in a non-redundant set. (manchester.ac.uk)
  • Likewise, the ProQ/FinO domain-containing protein RocC of Legionella pneumophila interacts with only one trans -acting sRNA (RocR) to repress post-transcriptionally multiple mRNA targets 6 . (nature.com)
  • Subsequently, we detected the expression of EZH2 on mRNA level and protein level in two different embryonic development stages (65-dpc and 90-dpc) via qRT-PCR and western blots. (hindawi.com)
  • Validation of the method shows that the function can be predicted to an accuracy of 77% using 52 features to describe each protein. (nih.gov)
  • The structural comparison of proteins has become increasingly important as a means to identify protein motifs and fold families. (aaai.org)
  • Lower fold recognition accuracy was observed when inaccurate threading alignments were used to identify common residue contacts between protein pairs. (biomedcentral.com)
  • The largest deterioration of the fold recognition was observed for β-class proteins when the threading methods were used because the average alignment accuracy was worst for this fold class. (biomedcentral.com)
  • When results of fold recognition were examined for individual proteins, we found that the effective contact definition depends on the fold of the proteins. (biomedcentral.com)
  • Residue contacts defined by Cβ−Cβ distance of 7.0 Å work best overall among tested to identify proteins of the same fold. (biomedcentral.com)
  • We designed new peptides of GRA6, GRA7, and SAG1 proteins, with more SNPs among the three clonal strains than those previously designed. (frontiersin.org)
  • a - d , f ) A simple way to gain insight into function is to use ribbon representation colored by sequence features: for example, domains ( a ), SNPs ( b ), exons ( c ), protein binding sites ( d ) and sequence conservation ( f ). ( e ) An effective way to show overall shape is with nonphotorealistic rendering using flat colors and outlines. (nature.com)
  • As with many pattern recognition problems, there are multiple feature spaces or groups of attributes available, such as global characteristics like the amino-acid composition (C), predicted secondary structure (S), hydrophobicity (H), van der Waals volume (V), polarity (P), polarizability (Z), as well as attributes derived from local sequence alignment such as the Smith-Waterman scores. (videolectures.net)
  • There is a strong emphasis on the structure of molecules, particularly proteins, which are the nanoscale machines that carry out most processes in living organisms. (bbk.ac.uk)
  • HMGB1 is an abundant protein, 10 6 molecules per cell [ 7 ], which has been postulated as a redox sensor [ 8 ]. (hindawi.com)
  • The alignment can also contain very short segments such as loops, secondary structure motifs, etc . (salilab.org)
  • This study demonstrated that it is necessary to gain insight into protein dynamics under external electric field stress, in order to develop the novel food processing techniques that can be potentially used to reduce or eradicate food allergens. (mdpi.com)
  • Insight into how these proteins recognize their cognate RNAs initiated with FinO. (nature.com)
  • For example, many biochemists regularly view protein structures to gain insight into protein function ( Fig. 1 ). (nature.com)
  • Furthermore, the proposed approach provides some insight by assessing the significance of recently introduced protein features and string kernels. (videolectures.net)
  • The third is that this is also the first time to characterize the plant prosaposin-like proteins, which are important in male gametophyte development and provide novel sights on how plants regulate reproductive process. (umd.edu)
  • All South African lineage 2 strains possessed the envelope-protein glycosylation site previously postulated to be associated with virulence. (cdc.gov)
  • The NS4B protein may play an important role in virulence phenotype determination ( 6 , 8 - 10 ), predicted to be involved in viral replication and evasion of host innate immune defenses ( 8 ). (cdc.gov)
  • developed a typing method based on antibody binding to polymorphic peptides, designed from proteins related to virulence. (frontiersin.org)
  • Current methods for predicting protein function are mostly reliant on identifying a similar protein of known function. (nih.gov)
  • The majority of methods for predicting protein function are reliant upon identifying a similar protein and transferring its annotations to the query protein. (manchester.ac.uk)
  • The subcellular localization of EZH2 protein was predicted by using different predictors (CELLO, Euk-mPLoc, WoLF PSORT, and TargetP). (hindawi.com)
  • The resulting flexible structure alignment typically consists of two or more tightly aligned rigid segments. (loria.fr)
  • There are three different protein prenyltransferases in humans: farnesyltransferase (FT) and geranylgeranyltransferase 1 (GGT1) share the same motif (the CaaX box) around the cysteine in their substrates, and are thus called CaaX prenyltransferases, whereas geranylgeranyltransferase 2 (GGT2, also called Rab geranylgeranyltransferase) recognizes a different motif and is thus called a non-CaaX prenyltransferase [ 1 ]. (biomedcentral.com)
  • Under stress conditions, such as nutrition depletion 8 , hypoxia 9 , 10 , or pathogen challenge 11 , global translation is reprogrammed, leading to elevated stress-responsive protein production, but repressed growth-related protein synthesis, which is crucial to the survival and adaptation to stress. (biorxiv.org)
  • The residue contact information can be incorporated in structure prediction in several different ways: It can be incorporated as statistical potentials or it can be also used as constraints in ab initio structure prediction. (biomedcentral.com)
  • These structure-based terms are commonly derived from statistics of structural properties observed in representative structures (knowledge-based statistical potentials). (biomedcentral.com)
  • Similarly, a minimal ProQ/FinO domain protein, NMB1681, has been shown to bind a range of structured RNAs in Neisseria meningitidis 15 . (nature.com)
  • These results will broaden our understanding of the protein-lipid interaction in the cell and the biological functions of saposin-like proteins in plant growth and development. (umd.edu)
  • The most useful features for distinguishing enzymes from non-enzymes are secondary-structure content, amino acid frequencies, number of disulphide bonds and size of the largest cleft. (nih.gov)