Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEGITMTESTYIMAIDQGTTSSRAIIFDKKGRHIGSSQKEFTQYFPQESWVEHDANEIWNSVQSVIAGAFIESGIKPNQIAGIGITNQRETTVIWEKDTGRPIYHAVVWQSRQSAGIADNLKNEGYQEFFHEKTGLVIDAYFSATKIRWILDHVEGAQERAEKGELMFGTIDSWLVWKLTDGQA---HVTDYSNASRTMLFNIHQLDWDQEILDLLNIPRVMLPKVTSNSEVYGYTQGYHFYGSEAPISGMAGDQQAALFGQMAFEPGMVKNTYGTGSFIVMNTGEKPQLSKNNLLTTIGYGIN-GKVYYALEGSIFVAGSSIQWLRDGLQMLQKASDSEDAAKRSTSEDEVYVVPAFVGLGAPYWDQAARGAMFGLTRGTTKEDIIKATLQSIAYQVRDIHRYDAR 2D4W Chain:B ((2-397)) ---------DYVLAIDQGTTSSRAIVFDHSGEIYSTGQLEHDQIFPRAGWVEHNPEQIWNNVREVVGLALTRGNLTHEDIAAVGITNQRETAVVWDKTTGKPVYNAIVWQDTRTQKIVDELGGDEGAEKYKSIVGLPLATYFSGPKIKWILDNVEGAREKAEKGDLLFGNTDTWVLWNMTGGTEGGVHVTDVTNASRTMLMDLDTLSWREDIAADMGIPLSMLPDIRSSSEVYGHGRPR-GLVPGVPIAGILGDQQAATFGQACFEVGQAKNTYGTGNFLLLNTGTEKVMSKNGLLTTVCYKIGDAPAVYALEGSIAVTGSLVQWLRDNLGMFEDAPDVEWLAGKVQDNGGAYFVPAFSGLFAPYWRPDARGALVGLTRYVNRNHIARAALEATAFQSREVVDAMN-

General information: TITO was launched using: RESULT: Template: 2D4W.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 : 2242 -92063 -41.06 -234.85 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -41.06 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_2D4W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2D4W-query.scw PDB file : Tito_Scwrl_2D4W.pdb: