Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSENQQALNHVVSMEDLTVDQVMKLIKRGIEFKNGAQIPYEDHPIVSNLFFEDSTRTHKSFEVAEIKLGLERLDFD--VKTSSVNKGETLYDTILTLSALGVDVCVIRHPEVDYYRELIASPTITTSIINGGDGSGQHPSQSLLDLMTIYEEFGHFEGLKVAIAGDLDHSRVAKSNMQILKRL-GSELFFAGPEEWRSQEF---------ADYGKFVTIDEIIDQVDVMMFLRVQHERHDSGAVFSKEDYHAQHGLTQERYDRLKETAILMHPAPINRDVEIADHLVEAPKSRIVQQMTNGVFVRMAILESVLASRNAN 3AT1 Chain:C ((8-304)) ---------HIISINDLSRDDLNLVLATAAKLKANPQPELLKHKVIASCFFEASTRTRLSFQTSMHRLGASVVGFSDSANTSLGKKGETLADTISVISTY-VDAIVMRHPQEGAAR-LATEFSGNVPVLNAGDGSNQHPTQTLLDLFTIQQTEGRLDNLHVAMVGDLKYGRTVHSLTQALAKFDGNRFYFIAPDALAMPEYILDMLDEKGIAWSLHSSIEEVMAEVDILYMTRVQKERLDPS---EYANVKAQFVLRASDLHNAKANMKVLHPLP--RVDEIATDVDKTPHAWYFQQAGNGIFARQALLALVL------

General information: TITO was launched using: RESULT: Template: 3AT1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1440 -1401 -0.97 -4.91 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -0.97 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_3AT1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AT1-query.scw PDB file : Tito_Scwrl_3AT1.pdb: