Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSHSVVCIGELLIDFFCTDVDVDLMEGRQFLKSAGGAPANVSAAIAKLGGDAAFSGKVGKDPFGYFLKRTLDAVHVDTSMLVMD-EKAPTTLAFVSLKQNGERDFVFNRG--ADALFTLEDIDQEKLNEAKILHFGSATALLSDPFCSAYLRLMSIAKDNGQFISFDPNYREDLWRGRVSEFVSVAKKAIAVSDFVKVSDEELEIISGVKD---HEKGVAILHEIGANIVAVTLGKSGTLLSNG-KDREIIPSIPVTSIDSTGAGDAFVGAALYQLANTDQIQSVDADFVKLREIVAFANKVGALVCTKIGAIDALPSLDEIGVSL 2QCV Chain:A ((10-323)) -REFDLIAIGRACIDLNAVEYNRPMEETMTFSKYVGGSPANIVIGSSKLGLKAGFIGKIADDQHGRFIESYMRGVGVDTSNLVVDQEGHKTGLAFTEIKSPEECSILMYRQDVADLYLSPEEVNEAYIRRSKLLLVSGTAL-SKSPSREAVLKAIRLAKRNDVKVVFELDYRPYSWETPE-ETAVYYSLVAEQSDIVIGTREEFDVLENRTEKGDNDETIRYLFKHSPELIVIKHGVEGSFAYTKAGEAYRGYAYKTKVLKTFGAGDSYASAFLYALISGK----------GIETALKYGSASASIVVSK-----AMPSVEEIEALI

General information: TITO was launched using: RESULT: Template: 2QCV.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 : 1875 -179448 -95.71 -594.20 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -95.71 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_2QCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QCV-query.scw PDB file : Tito_Scwrl_2QCV.pdb: