Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQTLRASKCGLSTAQLPSSILDVIDSLTKAGYEAYIVGGGVRDLMLGLNPKDFDAVTNATPSQIKEVFGRRCRIIGRRFELAHVYSGRELIEVATFRAPPKKAVTSASGMILRDNNWGTIEQDFARRDFSINTLYYQPRKGIVLDFCKAIDDVKSKTLRLLGDPVQRFEEDPVRMLRTLRFAAKLNFKIDPAILDIFDVEMTQLLRDVSPHRLYDESQKLFTMGHLARVLPMLIAFGVWKQLFADIRPDLTP--------FIQRAAKNTDQRIQVGKTINPAFFYAVLLWQPFLERCD-FYLSKGVVPAEARAQAGLDVLKRQATRTVIPRFAETFIREVWEMQTRLLNPKPQQIEALASHARFRAGFDFLLLR-EKSGDDTTQGMGSWWEAYQEMSNDEKEAAISQYNRQKAKSRRKVAAEPVESNKVDTEIEPLVDVPEPRSRRGKKERARQEQSIDRFIEKSSAAQTNVMSDHPILKRKRVQRDLSQVIFGPTQ 3AQK Chain:A ((27-431)) ---------AISRKDISENALKVMYRLNKAGYEAWLVGGGVRDLLLGKKPKDFDVTTNATPEQVRKLF-RNCRLVGRRFRLAHVMFGPEIIEVATFR-----------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKLGMRISPETAEPIP-RLATLLNDIPPAHLFEESLKLLQAGYGYETYKLLCEYHLFQPLFPTITRYFTENGDSPMERIIEQVLKNTDTRIHNDMRVNPAFLFAAMFWYPLLETAQKIAQESGLTYHDAFALAMNDVLDEACRSLAIPKRLTTLTRDIWQLQLRMSRRQGKRAWKLLEHPKFRAAYDLLALRAEVERNAELQRLVKWWGEFQVSAPPDQKGMLNELD----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AQK.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 : 1652 -120190 -72.75 -323.96 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -72.75 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_3AQK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AQK-query.scw PDB file : Tito_Scwrl_3AQK.pdb: