Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDYTQFPDANGHFGIHGGRFVSETLMAALEDLENLYSRMKNDEQFLAEFDRDLAYYVGRPSPLYYAERWSKELGGAQIYLKREDLNHTGSHKVNNTIGQALLAKLSGKKRIIAETGAGQHGVATATIAARLGLECVVYMGAEDVKRQAMNVYRMRLLGATVVPVQSGSKTLKDAMNEAMRDWVTNVDTTYYVIGTVAGPHPYPQLVRDFQSIIGREARKQILEQAGRLPDALVACVGGGSNAMGLFYPFLNDASVKMYGVEAAGFGIETGKHSAPLNAGHVGVLHGNRTYLMSDEQGQIIETHSISAGLDYPGVGPEHSFLKDMKRVEYVPINDTGALQGFRDLTKIEGIIPALESSHAMAYVSKLAPTMSKDQIIIATVSGRGDKDLMTVARIDGVEMVEM 1WDW Chain:B ((2-384)) ------------WFGEFGGQYVPETLIEPLKELEKAYKRFKDDEEFNRQLNYYLKTWAGRPTPLYYAKRLTEKIGGAKIYLKREDLVHGGAHKTNNAIGQALLAKFMGKTRLIAETGAGQHGVATAMAGALLGMKVDIYMGAEDVERQKMNVFRMKLLGANVIPVNSGSRTLKDAINEALRDWVATFEYTHYLIGSVVGPHPYPTIVRDFQSVIGREAKAQILEAEGQLPDVIVACVGGGSNAMGIFYPFVNDKKVKLVGVEAGGKGLESGKHSASLNAGQVGVFHGMLSYFLQDEEGQIKPTHSIAPGLDYPGVGPEHAYLKKIQRAEYVTVTDEEALKAFHELSRTEGIIPALESAHAVAYAMKLAKEMSRDEIIIVNLSGRGDKDLDIVLKV--------

General information: TITO was launched using: RESULT: Template: 1WDW.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 : 2500 -160533 -64.21 -419.14 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.89 3D Compatibility (PKB) : -64.21 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_1WDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WDW-query.scw PDB file : Tito_Scwrl_1WDW.pdb: