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 2HIM Chain:D ((24-346)) -KSIYVAYTGGTIGMQR-----IPVSGHLQRQLALMPEFHRPEMPDFTIHEYTPL-MDSSDMTPEDWQHIAEDIKAHYDDYDGFVILHGTDTMAYTASALSFMLENLGKPVIVTGSQIPLAELRSDGQINLLNALYVAANYPINEVTLFFNNRLYRGNRTAKAHADGFDAFASPNLPPLL---EAGIHIRRLNTPPAPHGEGELIVHPITPQPIGVVTIYPGISADVVRNFLRQPVKALILRSYGVGNAP-QNKAFLQELQEASDRGIVVVNLTQCMSGKVNM-------ALAHAGVIGGADMTVEATLTKLHYLLSQELDTETIRKAM----------

General information: TITO was launched using: RESULT: Template: 2HIM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1734 23333 13.46 77.52 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.79 3D Compatibility (PKB) : 13.46 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_2HIM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HIM-query.scw PDB file : Tito_Scwrl_2HIM.pdb: