Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESLIQTYLPNVYKMGWAGQAGWGTAIYLTLYMTVLSFIIGGFLGLVAGLFLVLTAPGGVLENKVVFWILDKI---------TSIFRAVPFIILLAILSPLSHLIVKTSIGPNAALVPLSFAVFAFFARQVQVVLAEL-DGGVIEAAQASGATFWDIVGVYLSEGLP--DLIRVTTVTLISLVGETAMAGAVGAGGIGNVAIAYGFNRYNHDVTILATIVIILIIFAIQFLGDFLTKKLSHK 1QJB Chain:A ((1-232)) -----MDKNELVQKAKLAEQAERYDDMAACMKSVTEQ---GAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKEKKQQMAREYREKIETELRDICNDVLSLLEKFLI--PNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDT----LSEESYKDSTLIMQLLRDNLTLWTSDT

General information: TITO was launched using: RESULT: Template: 1QJB.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 : 887 -39402 -44.42 -182.41 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -44.42 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.316

(partial model without unconserved sides chains): PDB file : Tito_1QJB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QJB-query.scw PDB file : Tito_Scwrl_1QJB.pdb: