Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSENQQALNHVVSMEDLTVDQVMKLIKRGIEFKNGAQIPYEDHPIVSNLFFEDSTRTHKSFEVAEIKLGLERLDFD--VKTSSVNKGETLYDTILTLSALGVDVCVIRHPEVDYYRELIASPTITTSIINGGDGSGQHPSQSLLDLMTIYEEFGHFEGLKVAIAGDLDHSRVAKSNMQILKRL-GSELFFAGPEEWRSQEF---------ADYGKFVTIDEIIDQVDVMMFLRVQHERHDSGAVFSKEDYHAQHGLTQERYDRLKETAILMHPAPINRDVEIADHLVEAPKSRIVQQMTNGVFVRMAILESVLASRNAN 2AIR Chain:A ((8-304)) ---------HIISINDLSRDDLNLVLATAAKLKANPQPELLKHKVIASCFFEASTRTRLSFETSMHRLGASVVGFSDSANTSLGKKGETLADTISVISTY-VDAIVMRHPQEGAAR-LATEFSGNVPVLNAGDGSNQHPTQTLLDLFTIQETQGRLDNLHVAMVGDLKYGRTVHSLTQALAKFDGNRFYFIAPDALAMPQYILDMLDEKGIAWSLHSSIEEVMAEVDILYMTRVQKERLDPS---EYANVKAQFVLRASDLHNAKANMKVLHPLP--RVDEIATDVDKTPHAWYFQQAGNGIFARQALLALVL------

General information: TITO was launched using: RESULT: Template: 2AIR.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 : 1444 -8799 -6.09 -30.87 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -6.09 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.395

(partial model without unconserved sides chains): PDB file : Tito_2AIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AIR-query.scw PDB file : Tito_Scwrl_2AIR.pdb: