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BALCONY

This repository holds the BALCONY R package, which can be downloaded at its CRAN website.

BALCONY (Better ALignment CONsensus analYsis) is an R package that facilitates the evolutionary analysis and the identification of conservation check the variablity of selected amino acids in protein structure. One of the unique functionalities of the BALCONY package concerns the analysis of individual amino acids in primary protein structure and their neighbours in tertiary structure. Residues defining active site cavities, co-factor binding sites, selectivity filters, channels or tunnels are examples of applications for this package. BALCONY is flexible and versatile enough to combine and analyse evolutionary and structural data in a simple and transparent manner.

Conservation analysis can provide insights into rational protein design. Amino acids favoured by evolution are attractive hot spots for mutations prediction. Conversely, the most variable residues may also be great candidates for enzyme property enhancements since theoretically these are not fundamental for protein stability.

Package installation

install.packages("BALCONY")

Publication

See the publication introducing the BALCONY package.

Płuciennik, Alicja, Michał Stolarczyk, Maria Bzówka, Agata Raczyńska, Tomasz Magdziarz, and Artur Góra. “BALCONY: An R Package for MSA and Functional Compartments of Protein Variability Analysis.” BMC Bioinformatics 19, no. 1 (August 14, 2018): 300. https://doi.org/10.1186/s12859-018-2294-z.

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Version

Install

install.packages('BALCONY')

Monthly Downloads

78

Version

0.2.10

License

GPL

Maintainer

Michac5<82> Stolarczyk

Last Published

February 28th, 2019

Functions in BALCONY (0.2.10)

calculate_AA_variation

Calculate AA variations on each position of the multiple sequence alignment
create_final_CSV

Create CSV file to save results
cons2seqs_sim

Group consensus to each sequence in the alignment similarity
get_structures_entropy

Get entropy of amino acids (for region of interest) in given protein
kabat_conservativity

Calculate Kabat conservation metric
cons2seqs_ident

Identity of each sequence in the alignment to the consensus sequence.
schneider_conservativity

Calculate Schneider conservation metric
get_structures_idx

Get IDs of structure(s) elements from aligned sequences (MSA)
kolmogorov_smirnov_test

Perform Kolmogorov-Smirnov test for structural data
shannon_conservativity

Calculate Shannon conservation metric
calculate_pseudo_counts

Calculate pseudo counts for alignment
delete_isoforms

Delete protein isoforms from alignment object
consensus

Consensus sequence determination
create_structure_seq

Superimpose structural data of interest on sequence after the alignmment
find_seqid

Find sequence identifier by other sequence identifier in given alignment within a specified library
excl_low_prob_strcts

Exclude low probability structural data
pairwise_alignment_MSA

Calculate pairwise alignment for whole MSA
substitution_mtx

Read a substitution matrix
get_pos_based_seq_weights

Get position based weights of sequences in alignment
plot_entropy

Plot entropies for protein
compare_cons_metrics

compare_cons_metrics
get_prot_entropy

Get MSA-based calculated entropy for chosen protein.
find_consecutive_seq

Find sequences of numbers in a numeric vector
get_remarks465_pdb

Get "REMARK 465" data from PDB file
small_alignment

Sample small alignment of soluable epoxide hydrolase family
structure

A sample structure data
landgraf_conservativity

Calculate Landgraf conservation score
noteworthy_seqs

Find noteworthy sequences in the dataset (aligned sequences)
preprocess_hmm_output

preprocess HMM output
convert_AA_symbol

Amino acids symbols conversion
read_structure

Read structure data from a text file
find_seq

Find sequence by id in alignment.
get_seq_names

Get names of sequences from alignment
get_seq_weights

Get sequences weights
gonnet

Gonnet substitution matrix
plot_structure_on_protein

Plot structure entropy on protein background
prepare_structure_profile

This function combines the entropy data for structure building amino acids with their indices
is_upper

Check if the letter is uppercase.
alignment

Sample alignment of soluable epoxide hydrolase family
D_matrix

Calculate substitution rate matrix between two amino acids
alignment2matrix

Load alignment into matrix
align_params

Get alignment dimensions
RealValET_conservativity

Calculate real-value Evolutionary Trace (ET)
barplotshow

Shows barplot with amino acid variation on the specified position
CRE_conservativity

Calculate cumulative relative entropy score
Escore_conservativity

Calculate the Escore conservation metric
align_seq_mtx2grs

Convert amino acid symbols to groups according to their properties of user's choice.