Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSENQQALNHVVSMEDLTVDQVMKLIKRGIEFKNGAQIPYEDHPIVSNLFFEDSTRTHKSFEVAEIKLGLERLDFD--VKTSSVNKGETLYDTILTLSALGVDVCVIRHPEVDYYRELIASPTITTSIINGGDGSGQHPSQSLLDLMTIYEEFGHFEGLKVAIAGDLDHSRVAKSNMQILKRL-GSELFFAGPEEWRSQEF---------ADYGKFVTIDEIIDQVDVMMFLRVQHERHDSGAVFSKEDYHAQHGLTQERYDRLKETAILMHPAPINRDVEIADHLVEAPKSRIVQQMTNGVFVRMAILESVLASRNAN 4KGX Chain:A ((8-304)) ---------HIISINDLSRDDLNLVLATAAKLKANPQPELLKHKVIASCFFEASTRTRLSFETSMHRLGASVVGFSDSANTSLGKKGETLADTISVISTY-VDAIVMRHPQEGAAR-LATEFSGNVPVLNAGDGSNQHPTQTLLDLFTIQETQGRLDNLHVAMVGDLKYGRTVHSLTQALAKFDGNRFYFIAPDALAMPQYILDMLDEKGIAWSLHSSIEEVMAEVDILYMTRVQKERLDPS---EYANVKAQFVLRASDLHNAKANMKVLHPLP--RVDEIATDVDKTPHAWYFQQAGNGIFARQALLALVL------

General information: TITO was launched using: RESULT: Template: 4KGX.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 : 1510 -2381 -1.58 -8.35 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -1.58 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_4KGX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KGX-query.scw PDB file : Tito_Scwrl_4KGX.pdb: