Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLFDRLFGKKEEPKIEEVVKEALENLDLSEDVDPTFTEVEEVSQEEAEVEIVEQAVFQEEEIQDTVEESLDLEPVVEVSQKEVEEFPHSEEGNTEFLETIEENNSEVLEPERPQAEETVQEKYDRSLKKTRTGFGARLNAFFANFRSVDEEFFEELEELLIMSDVGVQVASNLTEELRYEAKLENAKKPDALRRVIIEKLVELYEKDGSYDESIHFQDNLT-VMLFVGVNGVGKTTSIGKLAHRYKQAGKKVMLVAADTFRAGAVAQLAEWGRRVDVPVVTGPEKADPASVVFDGMERAVAEGIDILMIDTAGRLQNKDNLMAELEKIGRIIKRVVPEAPHETFLALDASTGQNALVQAKEFSKITPLTGIVLTKIDGTARGGVVLAIREELNIPVKLIGFGEKIDDIGEFNSENFMKGLLEGLI 2QY9 Chain:A ((198-493)) --------------------------------------------------------------------------------------------------------------------------RLKRSLLKTKENLGSGFISLFRG-KKIDDDLFEELEEQLLIADVGVETTRKIITNLTEGASRKQLRDAEALYGLLKEEMGEILAK---VDEPLNVEGKAPFVILMVGVNGVGKTTTIGKLARQFEQQGKSVMLAAGDTFRAAAVEQLQVWGQRNNIPVIAQHTGADSASVIFDAIQAAKARNIDVLIADTAGRLQNKSHLMEELKKIVRVMKKLDVEAPHEVMLTIDASTGQNAVSQAKLFHEAVGLTGITLTKLDGTAKGGVIFSVADQFGIPIRYIGVGERIEDLRPFKADDFIEALF----

General information: TITO was launched using: RESULT: Template: 2QY9.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 : 1626 -65542 -40.31 -222.17 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -40.31 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.637

(partial model without unconserved sides chains): PDB file : Tito_2QY9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QY9-query.scw PDB file : Tito_Scwrl_2QY9.pdb: