Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFSPLCWIVPSIYVIMKEGFKIGKGVFMLKLGVIGTGAISH-HFIEAAHTSGEYQLVAIYSRKLETAATFASRYQNIQLFDQLEVFFKS-SFDLVYIASPNSLHFAQAKAALSAGKHVILEKPAVSQPQEWFDLIQTAEKNNCFIFEAARNYHEKAFTTIKNFLAD---KQVLGADFNYAKYSSKMPDLLAGQTPNVFSDRFAGGALMDLGIYPLYAAVRLFGK-ANDATYHAQQL-DNSIDLNGDGILFYPDYQVHIKAGKNITSNLPCEIYTTDGTLTLNTIEHI-----RSAIFTDHQGNQVQLPIQQAPHTMTEEVAAFAHMIQQPDLNLYQTWLYDAGSVHELLYTMRQTAGIRFEAEK 4HAD Chain:C ((22-349)) ---------------------------SMLRFGIISTAKIGRDNVVPAIQDAENCVVTAIASRDLTRAREMADRFSVPHAFGSYEEMLASDVIDAVYIPLPTSQHIEWSIKAADAGKHVVCEKPLALKAGDIDAVIAARDRNKVVVTEAYMITYSPVWQKVRSLIDEGAIGSLRHVQGAFTYFNR-------DA------------GLPDIGVYPVMSTRFSTGKEPLRIQANTERDPDFGTDIYSSVKADFDDFELSFYVSTQMANRQIMVFHGTNGYIEVKSPFNANRWGPEEIELADRSHNESRIFRFQDSRQYRREVEAFARAVENGK--EEVVTLENSKLNQKVIDAIYRASEKDGWEA-

General information: TITO was launched using: RESULT: Template: 4HAD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1729 -2162 -1.25 -7.11 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.67 3D Compatibility (PKB) : -1.25 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_4HAD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HAD-query.scw PDB file : Tito_Scwrl_4HAD.pdb: