Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELYTLPIIIKTEKMLKDLKQYYPLSAYEKKKLFHFLAINLLAEQADSLDIASNQSLFFSDIGFYHLKGVLGEKSVIFINKTLSWLYLHDKLDQKYLRKNEDETIEWLNERFIESFENQFNLLREETSQLIRRELTKIHF--KLLHYTINKADEFPLDVSFFRENYPAFYCYLIEYINDLTSKRKELLQDKFFLFFSYLLLLINHIPIQLISEPVKIIIDFSYGAAYNQFIKKNLSLYINLNTEVIEAGKPEFPDVIITNRNNLYEESASQVVVWLDPPRAVDWGNLTKILLTIQEEKYKDSKIDKQIDDFPEEIIDRIE 4S1B Chain:A ((5-220)) ------------HPLLKKILMKAPGTYHHSMMVANLAE--ACADKIGANSLLVRVGCFYHDIGKTL-------RPPYFVENQIN---PHDRLT-----------PEQSRDIILSHTKDGAEILKENHMPQPIIDIALQHHGTTLLKYFYFKAKETNPDVKEADYRYSG--------------------------------------PKPQTKEIAIINISDSVEAAVRSSTEPT-------------------------------MAKITEIIDGIIKDRFLD-GQFTECDITIQEIKIIRDTLIATLNGIYHQRIQY--

General information: TITO was launched using: RESULT: Template: 4S1B.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 : 996 -18115 -18.19 -85.85 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -18.19 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.219

(partial model without unconserved sides chains): PDB file : Tito_4S1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S1B-query.scw PDB file : Tito_Scwrl_4S1B.pdb: