Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRDSVFIYSPSYQTYMFHQEHPFNQQRVLLTYDLLKTINAFDDGDIVTPRLASEEELSLVHTDDYIQAVKLAGAGKLP--AEEGESYGLGTEDTPVFAGMHEAASLLVGGTLTAADWVMSGQALHAANLGGGLHHGFRGRASGFCIYNDSAVAIQYIQKKYSARVLYIDTDAHHGDGVQFTFYDNPDVCTLSIHETGRYLFPGTGQIQEKGSGKGYGYSFNIPLDAFTEDDSFLEAYRTAASEVAAYFEPDVIISQNGADAHYYDPLTHLSATINIYEEIPRLAHTLAHQYCGGKWIAVGGGGYDIWRVVPRAWARIWLEMKGIDPGHEIPPEWIVKWQKQCPVALPSSWSDPADLYPPIPRKPEITEKNAQTVSKALYAIRSEQQRTK 4LXZ Chain:C ((3-285)) -KKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVG-EDCPVFDGLFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELL-KYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEY-FPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTF------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LXZ.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 : 1542 -26744 -17.34 -95.17 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.72 3D Compatibility (PKB) : -17.34 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_4LXZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LXZ-query.scw PDB file : Tito_Scwrl_4LXZ.pdb: