Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLFDRLFGKKEEPKIEEVVKEALENLDLSEDVDPTFTEVEEVSQEEAEVEIVEQAVFQEEEIQDTVEESLDLEPVVEVSQKEVEEFPHSEEGNTEFLETIEENNSEVLEPERPQAEETVQEKYDRSLKKTRTGFGARLNAFFANFRSVDEEFFEELEELLIMSDVGVQVASNLTEELRYEAKLENAKKPDALRRVIIEKLVELYEKDGSYDESIHFQDNLT-VMLFVGVNGVGKTTSIGKLAHRYKQAGKKVMLVAADTFRAGAVAQLAEWGRRVDVPVVTGPEKADPASVVFDGMERAVAEGIDILMIDTAGRLQNKDNLMAELEKIGRIIKRVVPEAPHETFLALDASTGQNALVQAKEFSKITPLTGIVLTKIDGTARGGVVLAIREELNIPVKLIGFGEKIDDIGEFNSENFMKGLLEGLI 2XXA Chain:B ((20-298)) -------------------------------------------------------------------------------------------------------------------------------------------ISLFRG-KKIDDDLFEELEEQLLIADVGVETTRKIITNLTEGASRKQLRDAEALYGLLKEEMGEILAK---VDEPLNVEGKAPFVILMVGVNGVGKTTTIGKLARQFEQQGKSVMLAAGDTFRAAAVEQLQVWGQRNNIPVIAQHTGADSASVIFDAIQAAKARNIDVLIADTAGRLQNKSHLMEELKKIVRVMKKLDVEAPHEVMLTIDASTGQNAVSQAKLFHEAVGLTGITLTKLDGTAKGGVIFSVADQFGIPIRYIGVGERIEDLRPFKADDFIEALF----

General information: TITO was launched using: RESULT: Template: 2XXA.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 : 1400 -53330 -38.09 -191.83 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -38.09 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.673

(partial model without unconserved sides chains): PDB file : Tito_2XXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XXA-query.scw PDB file : Tito_Scwrl_2XXA.pdb: