Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMDIHKFEVFLDLAETMNFTKTADRQFTTQGNISKQILSLETELDVKLFERAHRKIELTEAGSLLLPYVKNV---VEQYHAMQEVLETYTKDNNL----SLNILTIPTMINYKGFSKITEFLKRHPEFTVQLKEVESVELTYNDANEHSDTIHFARSFQAPPSSIEWLPTETDDFVAVLPKNHPL--ASKKKLDLSELKKENFLLL--GPTTNLYQPVLDLCREAGFEPKISYKGARIDLIINMIANDMGIAIVMEKTVKNLLKENTVILPISPTTESYLAFTRKVGEHSLASDTFWEYLNQEEN 3K1P Chain:A ((1-247)) -MELRHLRYFVAVVEEQSFTKAADKLCIAQPPLSRQIQNLEEELGIQLLERGSRPVKTTPEGHFFYQYAIKLLSNVDQMVSMTKRIASVEKTIRIGFVGSLLFGLLPRIIHL--------YRQAHPNLRIELYEMGTKAQT-EALKEGRIDAGFGRLKISDP-AIKRTLLRNERLMVAVHASHPLNQMKDKGVHLNDLIDEKILLYPSSPKPNFSTHVMNIFSDHGLEPTKINEVRKVQLALGLVAAGEGISLVPAST-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3K1P.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 : 721 -19875 -27.57 -84.22 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -27.57 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_3K1P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K1P-query.scw PDB file : Tito_Scwrl_3K1P.pdb: