Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHIAALHQPSQVQLNQDGNLKHFLTIEGLSKENLTKILDTAQSFLDDNNNLINRPLLEGRTVMNLFFENSTRTRTTFEAAAKRLSANVLNI-DIARSST-SKGETLRDTLWNLEAMAADIFVVRHSSSGAAHFIAKDVCPKVAIINAGDGRHAHPTQAMLDMLTIRREMKKPFEDLSVAIIGDIKHSRVARSDVAALQTLGCKDIRVIAPNTLLPVGF-----SEYGDHVRLFNNMDEGITGCDVIIALRIQNERIDSPALSSQSEFYRMYGLNKERLSLAKPDCIVMHPGPMNRGVEIDSSIADGEQSVILKQVTNGIAVRMAVLALSMQGQLQEQGLIDAIAL 8ATC Chain:A ((7-308)) --------------------KHIISINDLSRDDLNLVLATAAKLKANPQP----ELLKHKVIASCFFEASTRTRLSFQTSMHRLGASVVGFSDSANTSLGKKGETLADTI-SVISTYVDAIVMRHPQEGAAR-LATEFSGNVPVLNAGDGSNQHPTQTLLDLFTIQQTEGR-LDNLHVAMVGDLKYGRTVHSLTQALAKFDGNRFYFIAPDALAMPEYILDMLDEKGIAWSLHSSIEEVMAEVDILYMTRVQKERLDP---SEYANVKAQFVLRASDLHNAKANMKVLHPLP--RVDEIATDVDKTPHAWYFQQAGNGIFARQALLALVLNRDL-----------

General information: TITO was launched using: RESULT: Template: 8ATC.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 : 1644 -23959 -14.57 -81.22 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -14.57 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_8ATC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-8ATC-query.scw PDB file : Tito_Scwrl_8ATC.pdb: