ReproPhylo: An Environment for Reproducible Phylogenomics

The reproducibility of experiments is key to the scientific process, and particularly necessary for accurate reporting of analyses in data-rich fields such as phylogenomics. We present ReproPhylo, a phylogenomic analysis environment developed to ensure experimental reproducibility, to facilitate the handling of large-scale data, and to assist methodological experimentation. Reproducibility, and instantaneous repeatability, is built in to the ReproPhylo system and does not require user intervention or configuration because it stores the experimental workflow as a single, serialized Python object containing explicit provenance and environment information. This ‘single file’ approach ensures the persistence of provenance across iterations of the analysis, with changes automatically managed by the version control program Git. This file, along with a Git repository, are the primary reproducibility outputs of the program. In addition, ReproPhylo produces an extensive human-readable report and generates a comprehensive experimental archive file, both of which are suitable for submission with publications. The system facilitates thorough experimental exploration of both parameters and data. ReproPhylo is a platform independent CC0 Python module and is easily installed as a Docker image or a WinPython self-sufficient package, with a Jupyter Notebook GUI, or as a slimmer version in a Galaxy distribution.

This is a PLOS Computational Biology Software paper.

     

Dissecting the specificity of protein-protein interaction in bacterial two-component signaling: orphans and crosstalks

Predictive understanding of the myriads of signal transduction pathways in a cell is an outstanding challenge of systems biology. Such pathways are primarily mediated by specific but transient protein-protein interactions, which are difficult to study experimentally. In this study, we dissect the specificity of protein-protein interactions governing two-component signaling (TCS) systems ubiquitously used in bacteria. Exploiting the large number of sequenced bacterial genomes and an operon structure which packages many pairs of interacting TCS proteins together, we developed a computational approach to extract a molecular interaction code capturing the preferences of a small but critical number of directly interacting residue pairs. This code is found to reflect physical interaction mechanisms, with the strongest signal coming from charged amino acids. It is used to predict the specificity of TCS interaction: Our results compare favorably to most available experimental results, including the prediction of 7 (out of 8 known) interaction partners of orphan signaling proteins in Caulobacter crescentus. Surveying among the available bacterial genomes, our results suggest 15～25% of the TCS proteins could participate in out-of-operon "crosstalks". Additionally, we predict clusters of crosstalking candidates, expanding from the anecdotally known examples in model organisms. The tools and results presented here can be used to guide experimental studies towards a system-level understanding of two-component signaling.     

Developmental instability of vascular plants in contrasting microclimates at ‘Evolution Canyon’

Rocellaria dubia bores into subtidal rocks of karsted limestone in the Adriatic Sea and elsewhere. It also bores into the shells of various bivalve species. The mechanism of boring has hitherto been debated, but examination of occupied shells suggest that this is achieved by mechanical (the shell) abrasion and chemical etching using secretions produced from glands in the anterior mantle. Fast‐growing bivalves such as Ostrea edulis and Pinna nobilis carry heavy R. dubia burdens, and encapsulate the borer in secreted calluses. Slow‐growing bivalves such as the burrowing Venus verrucosa and Glycymeris violacescens carry low R. dubia burdens, are less able to encapsulate the borers, and probably incur enhanced mortalities as a result. Individuals of R. dubia removed from their limestone boreholes re‐secreted adventitious tubes around their siphons, probably from glands in the posterior mantle. The lifestyle of R. dubia is now better understood, and its ability to bore bivalve shells in particular suggests how the more advanced tropical gastrochaenids Cucurbitula and Eufistulana have evolved from initial (as juveniles) bivalve shell borers into occupants of adventitious crypts and tubes, respectively. It is further argued that the Gastrochaenidae show convergent similarities with the similar crypt‐ and tube‐building representatives of the Clavagelloidea. © 2011 The Linnean Society of London, Biological Journal of the Linnean Society, 2011, 104 , 786–804.     

Glucosylated nucleotide sequences from T-even bacteriophage deoxyribonucleic acids

1. The frequencies of various pyrimidine nucleotide sequences in phage-T2VG111 DNA and phage-T6 DNA have been measured. The hydroxymethylcytosine nucleotides that bear glucosyl groups in phage-T2VG111 DNA and gentiobiosyl groups in phage-T6 DNA are not randomly distributed. 2. Sequences in which two or three hydroxymethylcytosine nucleotides are terminated at both ends by purine nucleotides bear only one sugar substituent and this is attached to the first hydroxymethylcytosine when the sequences are written in the conventional notation; i.e. with the 5′-phosphate before and the 3′-phosphate after each nucleoside residue. This resembles the distribution of glucosyl residues previously found in the corresponding sequences from phage-T2 DNA. Sequences in which one hydroxymethylcytosine nucleotide is attached through the 3′-position to a purine nucleotide are more fully glucosylated in phage-T2VG111 DNA and phage-T6 DNA than in the DNA of phage T2. 3. Pyrimidine sequences from the DNA of phage T6(S) have been found to contain glucosyl but not gentiobiosyl residues. The relative amounts of the sequences isolated indicate that the distribution of the glucosyl residues in this DNA resembles that of the gentiobiosyl groups in phage-T6 DNA. 4. It is suggested that the distributions of glycosyl substituents in these T-even-phage deoxyribonucleic acids reflect the specificity requirements of the α-glucosyltransferases induced by the different phages. The results obtained with the DNA of phage T6(S) suggest that this phage induces the usual phage-T6 α-glucosyltransferase but not the phage-T6 β-glucosyltransferase.