Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIRQLRYFITIAQEQKITSAAKKLHMAQPPLSRQLKQLEDELGVVLFDRNKKKQMTLTYEGAVFLKRAKEILHRFEDAVIEVQELKEEVAGTLAVGSTIYCAALMLEKVTQI----KERYPHLTFNIWENEPATLLELLESRQIDAAVTTTLIKSDTVQFKQLDDIPCVLVLSDEAGYPCGD----TIKMVDIPSFPLILLRPVNGKGVYN-QVMNEFHRLNLEPRIVCECHDSATLLSLVSSGFGASILPVTMIPVHMRNHVHTVHIENNPFIMTPAVMWRTDSYLPKPAQQFLDLF 3K1M Chain:A ((1-254)) MELRHLRYFVAVVEEQSFTKAADKLCIAQPPLSRQIQNLEEELGIQLLERGSRPVKT-TPEGHFFYQYAIKLLSNV-DQMVSMTKRIASVEKTIRIG---FVGSLLFGLLPRIIHLYRQAHPNLRIELYEMGTKAQTEALKEGRIDAGFGRLKISDPAIKHTLLRN--ERLMVAVHASHPLNQMKDKGVHLNDLID-EKILLYPSSPKPNFSTHVMNIFSDHGLEPTKINEVREVQLALGLVAAGEGISLVPASTQSIQLFN-------------------------------------

General information: TITO was launched using: RESULT: Template: 3K1M.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 : 927 -127373 -137.40 -519.89 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -137.40 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_3K1M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K1M-query.scw PDB file : Tito_Scwrl_3K1M.pdb: