Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLMLTTGGTIASVEGENGLAP-GVKADELLSYVSKLDN----DYTMETQSLMNIDSTNMQPEYWVEIAEAVKENYDAYDGFVITHGTDTMAYTSAALSYMLQHAKKPIVITGSQIPITFQKTDAKKNITDAIRFACE-GVGGVYVVFDGRVIQGTRAIKLRTKSYDAFESINYPYIAFINEDGIEYNKQVTEPE---NDTFTVDTSLCTDVCLLKLHPGLKPEMF-DALKSMYKGIVIESYGSGGVPFEGRDILSKVNELIESGIVVVITTQCLEEGEDMSIYEVGRRVNQDLIIRSRNMNTEAIVPKLMWALGQSSDLPVVKRIMETPIADDVVL 2P2D Chain:B ((24-346)) -KSIYVAYTGGTIGMQRSEQGYIPVSGHLQRQLALMPEFHRPEMPDFTIHEYTPL-MDSSDMTPEDWQHIAEDIKAHYDDYDGFVILHGTDTMAYTASALSFMLENLGKPVIVTGSQIPLAELRSDGQINLLNALYVAANYPINEVTLFFNNRLYRGNRTTKAHADGFDAFASPNLPPLL---EAGIHIRRLNTPPAPHGEGELIVHPITPQPIGVVTIYPGISADVVRNFLRQPVKALILRSYGVGNAP-QNKAFLQELQEASDRGIVVVNLTQCMSGKVNM------NALAHAGVIGGADMTVEATLTKLHYLLSQELDTETIRKAM----------

General information: TITO was launched using: RESULT: Template: 2P2D.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 : 1720 28551 16.60 93.00 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : 16.60 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_2P2D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2P2D-query.scw PDB file : Tito_Scwrl_2P2D.pdb: