Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHIAIIGAGISGLMSALELVEQGCTISIFDQQQAGQAASWAGGGILSPMYPWRYVHAVNQLAQFGKASYQAWNQKLYPVTGIDFEIHDTGMLIFDEEDFDVG-L-SYAEQH-QEPI----QRCEYLQRDALEQVNPHISEQFQEAIYFPELSNIRNPRVLQSLISYLKQHPNVEFFEH-AAVKKLIQQGDVIQALQTEDGRKHTADHFVITSGAWSHYWNSQLKLEIPVEPVQGQMLLFKTPAHWLPT-MCMNRVMYLIPRMDGH------IVCGSSMAHRGFDTSTDETTQHNILEACLEMVPELADFPIVHRWAGLRPSSPNGVPYIGKMPEMDNLWANFGHFRNGLCMGAGSAQLLRQLMLGQPTLVDAKAYSPERLQNKILA 5I39 Chain:A ((38-408)) ADVVVVGAGILGIMTAINLVERGLSVVIVEKGNIAGEQSSRFYGQAISYKMP---DETFLLHHLGKHRWREMNAKV---G-IDTTYRTQGRVEVPLDEEDLVNVRKWIDERSKNVGSDIPFKTRIIEGAELNQRLRGATTDWKIAGFEEDSGSFDPEVATFVMAEYAKKMG-VRIYTQCAARGLETQAG-VISDVVTEK-GAIKTSQVVVAGGVWSRLFMQNLNVDVPTLPAYQSQQLISGSPTAPGGNVALPGGIFFREQADGTYATSPRVIVA----------LPDLPELNASLEKLKAEFPAFKESKLIDQWSGAMAIAPDENPIISEVKEYPGLVINTAT-GWGMTESPVSAELTADLLLGKKPVLDPKPFSLYRF------

General information: TITO was launched using: RESULT: Template: 5I39.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 : 1995 -39831 -19.97 -115.79 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -19.97 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_5I39.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5I39-query.scw PDB file : Tito_Scwrl_5I39.pdb: