Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHIAIIGAGISGLMSALELVEQGCTISIFDQQQAGQAASWAGGGILSPMYPWRYVHAVNQLAQFGKASYQAWNQKLYPVTGIDFEIHDTGMLIFDEEDFDVG-L-SYAEQH-QEP----IQRCEYLQRDALEQVNPHISEQFQEAIYFPELSNIRNPRVLQSLISYLKQHPNVEFFEH-AAVKKLIQQGDVIQALQTEDGRKHTADHFVITSGAWSHYWNSQLKLEIPVEPVQGQMLLFKTPAHWLPT-MCMNRVMYLI----------------PR-----------------MDGHIVCGSSMAH---------------RGFD------TSTDETTQHNILEACLEMVPELADFPIVHRWAGLRPSSPNGVPYIGKMPEMDNLWANFGHFRNGLCMGAGSAQLLRQLMLGQPTLVDAKAYSPERLQNKILA 5HXW Chain:A ((38-454)) ADVVVVGAGILGIMTAINLVERGLSVVIVEKGNIAGEQSSRFYGQAISYKMP---DETFLLHHLGKHRWREMNAKV---G-IDTTYRTQGRVEVPLDEEDLVNVRKWIDERSKNVGSDIPFKTRIIEGAELNQRLRGATTDWKIAGFEEDSGSFDPEVATFVMAEYAKKMG-VRIYTQCAARGLETQAG-VISDVVTEK-GAIKTSQVVVAGGVWSRLFMQNLNVDVPTLPAYQSQQLISGSPTAPGGNVALPGGIFFREQADGTYATSPRVIVAPVVKESFTYGYKYLPLLALPDFPVHISLNEQLINSFMQSTHWNLDEVSPFEQFRNMTALPDLPELNASLEKLKAEFPAFKESKLIDQWSGAMAIAPDENPIISEVKEYPGLVINTAT-GWGMTESPVSAELTADLLLGKKPVLDPKPFSLYRF------

General information: TITO was launched using: RESULT: Template: 5HXW.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 : 1766 -54012 -30.58 -152.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -30.58 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.386

(partial model without unconserved sides chains): PDB file : Tito_5HXW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HXW-query.scw PDB file : Tito_Scwrl_5HXW.pdb: