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 4XSU Chain:A ((89-384)) -----------------------------------------------------------------------------------------------------------------------KVVQTAHEYDLIYANTQKALVVGAIASFIARRPLVYHLHDILSPEHFSQTNLRVAVNLANRFASLVIANSQASQTAFIQAGGRAELTKVIYNGFDINLYKTSPS-DISKLRQQLGVANNFVVGHFSRLSPWKGQHILIDALAQCP---PQVTAILVGDALFGEQDYVKELHQQITRLGLE-------------NRVKFLGFRADIPQLMAACDLVAHTSTAPE-PFGRVIVEAMLCGKPVV-AAKAGGAMELVEH-GVNGFLTTPGESQELANIINTCIEDTQKTATIASNAQAIASQRFDVVTINQQIAETLSSL-----

General information: TITO was launched using: RESULT: Template: 4XSU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1528 -35605 -23.30 -124.49 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -23.30 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.336

(partial model without unconserved sides chains): PDB file : Tito_4XSU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XSU-query.scw PDB file : Tito_Scwrl_4XSU.pdb: