Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELYTLPIIIKTEKMLKDLKQYYPLSAYEKKKLFHFLAINLLAEQADSLDIASNQSLFFSDIGFYHLKGVLGEKSVIFINKTLSWLYLHDKLDQ-------KYLRKNEDETIEWLNERFIESFENQFNLLRE--ETSQLIRRELTKIHFKLLHYTINKADEFPLDVSFFRENYPAFYCYLIEYINDLTSKRKELLQDKFFLFFSYLLLLINHIPIQLISEPVKIIIDFSYGAAYNQFIKKNLSLYINLNTEVIEAGKPEFPDVIITNRNNLYEESASQVVVWLDPPRAVDWGNLTKILLTIQEEKYKDSKIDKQIDDFPEEIIDRIE 3TC1 Chain:A ((226-282)) ---------------------------------------------------------------------------------TLPYLLLYEKLNQHDQGLLISYFKQDSHEIIEWTKEKF-----KQYGIIEETLKTAQVYSKK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TC1.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 : 106 7490 70.66 156.04 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 70.66 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_3TC1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TC1-query.scw PDB file : Tito_Scwrl_3TC1.pdb: