This repository contains protein complex structures containing SARS-CoV-2 spike protein as well as derived data.
Important files:
-
pdb/ACE2/complexes/*.pdb
– SARS-CoV-2 complexes with ACE2 proteinpdb/ACE2/complexes/clusters/clusters.lst
– file listing clusters based on contacts (epitopes), one cluster per line;pdb/ACE2/complexes/clusters/contacts-..tab
– TSV file listing averaged contact distances for each of the clusters (columns); lines correspond to aminoacid positions in SARS-CoV-2 spike glycoprotein; question marks (?
) mark absent contacts for the position in question;pdb/ACE2/complexes/contact-maps/distances/..tab
– TSV file listing all complexes (columns) and their contacts (lines); lines correspond to aminoacid positions in SARS-CoV-2 spike glycoprotein; question marks (?
) mark absent contacts for the position in question;pdb/ACE2/complexes/dist-matrices/contact.m
– distance matrix between complexes;
-
pdb/antibodies/complexes/*.pdb
– SARS-CoV-2 complexes with antibodiespdb/antibodies/complexes/clusters/clusters.lst
– file listing clusters based on contacts (epitopes), one cluster per line;pdb/antibodies/complexes/clusters/contacts-..tab
– TSV file listing averaged contact distances for each of the clusters (columns); lines correspond to aminoacid positions in SARS-CoV-2 spike glycoprotein; question marks (?
) mark absent contacts for the position in question;pdb/antibodies/complexes/contact-maps/distances/..tab
– TSV file listing all complexes (columns) and their contacts (lines); lines correspond to aminoacid positions in SARS-CoV-2 spike glycoprotein; question marks (?
) mark absent contacts for the position in question;pdb/antibodies/complexes/dist-matrices/contact.m
– distance matrix between complexes;
-
pdb/pristine/*.pdb
– original PDB files as downloaded from the Protein DataBank
This project has received funding from European Regional Development Fund (project No 13.1.1-LMT-K-718-05-0023) under grant agreement with the Research Council of Lithuania (LMTLT). Funded as European Union's measure in response to Cov-19 pandemic.