Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQTLRASKCGLSTAQLPSSILDVIDSLTKAGYEAYIVGGGVRDLMLGLNPKDFDAVTNATPSQIKEVFGRRCRIIGRRFELAHVYSGRELIEVATFRAPPKKAVTSASGMILRDNNWGTIEQDFARRDFSINTLYYQPRKGIVLDFCKAIDDVKSKTLRLLGDPVQRFEEDPVRMLRTLRFAAKLNFKIDPAILDIFDVEMTQLLRDVSPHRLYDESQKLFTMGHLARVLPMLIAFGVWKQLFADIRPDLTP--------FIQRAAKNTDQRIQVGKTINPAFFYAVLLWQPFLERCD-FYLSKGVVPAEARAQAGLDVLKRQATRTVIPRFAETFIREVWEMQTRLLNPKPQQIEALASHARFRAGFDFLLLR-EKSGDDTTQGMGSWWEAYQEMSNDEKEAAISQYNRQKAKSRRKVAAEPVESNKVDTEIEPLVDVPEPRSRRGKKERARQEQSIDRFIEKSSAAQTNVMSDHPILKRKRVQRDLSQVIFGPTQ 3AQL Chain:B ((11-411)) ---------AISRKDISENALKVMYRLNKAGYEAWLVGGGVRDLLLGKKPKDFDVTTNATPEQVRKLF-RNCRLVGRRFRLAHVMFGPEIIEVATFRG----------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKLGMRISPETAEPIP-RLATLLNDIPPAHLFEESLKLLQAGYGYETYKLLCEYHLFQPLFPTITRYFTENGDSPMERIIEQVLKNTDTRIHNDMRVNPAFLFAAMFWYPLLETAQKIAQESGLTYHDAFALAMNDVLDEACRSLAIPKRLTTLTRDIWQLQLRMSRRQGKRAWKLLEHPKFRAAYDLLALRAEVERNAELQRLVKWWGEFQVSAPPDQKGML--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AQL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1718 -138056 -80.36 -375.15 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -80.36 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_3AQL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AQL-query.scw PDB file : Tito_Scwrl_3AQL.pdb: