Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATPFWYNTALHLLKPFYRWRIKRRAESLELYQQECLERFGPFEAPKNVKAIWFHAVSVGETNAAQPLIEYYLKLGQPVLVTNTTKTGQARAKSLFLKEPYLDLFQAVYLPVDQKPLLKKFFE-LYQPKLLALVETELWPNLIDQAKLQHVPCLLLNARLSEKSAKGYGKVSGLTAGMLKQLDWVLAQDSATRQRYVELGLDEHKSQVVGNIKFDIHAPEAFIKQAAQLRQQWYLE-NRQVVTIASTHAP-EEQQILEAFAPYLNSDRELVCIVVPRHP----ERFDEVFEICQNLNLITHRRSMGQSIHASTQVYLADSMGELWLWYALSQVCFVGGSLNEPGGGHNILEPMVLNVPTVVGPRYFNFQTIVDEFIDENAVLIAQDAQQVVDIWLACLAEPEATEQLVAQAHKVLQRNQG---SLQKHIGVINRYLAEKS 4XSO Chain:B ((89-384)) -----------------------------------------------------------------------------------------------------------------------KVVQTAHEYDLIYANTQKALVVGAIASFIARRPLVYHLHDILSPEHFSQTNLRVAVNLANRFASLVIANSQASQTAFIQAGGRAELTKVIYNGFDINLYKTSPS-DISKLRQQLGVANNFVVGHFSRLSPWKGQHILIDALAQCP---PQVTAILVGDALFGEQDYVKELHQQITRLGLE-------------NRVKFLGFRADIPQLMAACDLVAHTSTAPE-PFGRVIVEAMLCGKPVV-AAKAGGAMELVEH-GVNGFLTTPGESQELANIINTCIEDTQKTATIASNAQAIASQRFDVVTINQQIAETLSSL-----

General information: TITO was launched using: RESULT: Template: 4XSO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1505 -31279 -20.78 -109.37 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -20.78 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_4XSO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XSO-query.scw PDB file : Tito_Scwrl_4XSO.pdb: