Figure 1.

PQS Residue in a contact with a different protein chain or ligand, according to the PQS server; Bind Residue in a contact with a different protein chain or ligand, according to PDB data; MMDB Residue in a contact with a ligand, according to the MMDB server; Gly Mutation from glycine, introducing unfavourable torsion angles; Pro Mutation to proline, introducing unfavourable torsion angles; Cispro Mutation from cisproline, introducing unfavourable torsion angle; Clash Mutation introducing a steric clash with an existing residue; Void Mutation introducing a destabilizing void >275Å3 in the protein core; Hbond Mutation disrupting a hydrogen bond; CorePhilic Introduction of a hydrophilic residue in the protein core; SurfacePhobic Introduction of a hydrophobic residue on the protein surface; BuriedCharge Mutation causing an unsatisfied charge in the protein core; SSgeom Mutation disrupting a disulphide bond; HighCons Residue has conserved sequence; EXPLAINED Any of the above categories. In addition, we look at whether a residue annotated as functionally relevant by UniProtKB/SwissProt; Asterisks indicate a significant result (two where p < 0.01 and one where p < 0.05) calculated as described in Hurst et al. [19].

Al-Numair and Martin BMC Genomics 2013 14(Suppl 3):S4   doi:10.1186/1471-2164-14-S3-S4