PhiSiCal (𝜙𝛹𝜒al) Mixture Models

Reference: Piyumi R Amarasinghe, Lloyd Allison, Peter J Stuckey, Maria Garcia de la Banda, Arthur M Lesk, and Arun S Konagurthu. Getting 𝜙𝛹𝜒al with proteins: minimum message length inference of joint distributions of backbone and sidechain dihedral angles, Bioinformatics, Volume 39, Issue Supplement_1, Pages i357-i367, 2023. [PDF]

PhiSiCal (𝜙𝛹𝜒al) Mixture Models inferred using MML

Download mixture models

PhiSiCal v1.0 Mixture Models (PDB50-inferred)
PhiSiCal v1.0 Mixture Models (PDB50-HighResolution-inferred)

Download sampler program

C++ program (v1.0) to randomly sample (jointly and conditionally dihedrals) from PhiSiCal mixture models

Download raw data files

Amino acid	Dihedral angle raw data
ALA	PDB50\|PDB50HighRes
GLY	PDB50\|PDB50HighRes
CYS	PDB50\|PDB50HighRes
THR	PDB50\|PDB50HighRes
SER	PDB50\|PDB50HighRes
VAL	PDB50\|PDB50HighRes
TRP	PDB50\|PDB50HighRes
HIS	PDB50\|PDB50HighRes
TYR	PDB50\|PDB50HighRes
PHE	PDB50\|PDB50HighRes

Amino acid	Dihedral angle raw data
ASN	PDB50\|PDB50HighRes
PRO	PDB50\|PDB50HighRes
ASP	PDB50\|PDB50HighRes
ILE	PDB50\|PDB50HighRes
LEU	PDB50\|PDB50HighRes
MET	PDB50\|PDB50HighRes
GLN	PDB50\|PDB50HighRes
GLU	PDB50\|PDB50HighRes
LYS	PDB50\|PDB50HighRes
ARG	PDB50\|PDB50HighRes

PDB50 collection
PDB50HighRes collection

Additional tables and plots related to PDB50HighRes-mixture model

This PDF contains two additional tables and two additional figures specifically for PDB50HighRes mixture models inferred in this work. These complement the supplementary tables and figures that appear in the published supplementary sections S5-S8, respectively (dealing with mixture models inferred on PDB50 data set, rather than PDB50HighRes data set).

Contact

Please contact the following people for any queries arising:

Arun Konagurthu <arun.konagurthu@monash.edu>
Piyumi R. Amarasinghe <piyumi.amarasinghebaragamage@monash.edu>