Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIKVMEYAAEIARRQSFTKAAEHLHIAQPSLSQQIKKLEAELGLTLFHRSHGSVTLTPHGRRFIEKAEDIIRSRDDLLREMQERSQGIGHKLSIGIPAVTGRYLFPPLLKQFLARYPHVEVQLVEKDPVSLEKMTAKGEVDLSVLSLPIEDERLSITPLLTEPVVLAV----PKEKQRWMPPELVALI-EKALEEDEGRQPCVPIDMVRNVPFILLKEGFGFRRTVLDLCAESGFKPNAAFKTSHIETAQSLVANGLGVTMAPNMVRRDKDPGVIYLSIQSAPSRTLVFVFLKNRYVSLTAQAFMELSRESLKQTFDEGCLGNKDENI 3K1N Chain:A ((1-291)) MELRHLRYFVAVVEEQSFTKAADKLCIAQPPLSRQIQNLEEELGIQLLERGSRPVKTTPEGHFFYQYAIKLLSNVDQMV-SMTKRIASVEKTIRIGFVGSLLFGLLPRIIHLYRQAHPNLRIELYEMGTKAQTEALKEGRIDAGFGRLKISDPAIKRTLLRNERLMVAVHASHPLNQMKDKGVHLNDLIDEKILLYPSSPKP-------------------NFSTHVMNIFSDHGLEPTKINEVREVQLALGLVAAGEGISLVPASTQSIQLFNLSYVPLLDPDAITPIYIAVRNMEESTYIYSLYETIRQ------------------

General information: TITO was launched using: RESULT: Template: 3K1N.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 : 1259 -149693 -118.90 -523.40 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -118.90 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.582

(partial model without unconserved sides chains): PDB file : Tito_3K1N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K1N-query.scw PDB file : Tito_Scwrl_3K1N.pdb: