Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MNLWDIFFTTQATEPPKFDLFWYVSLFTLLALTFYTAHRYRENKVYQRFFQILQTVQLILLYGWYWVNHMPLSESLPFYHCRMAMFVVLLLPGQSKYKQYFALLGTFGTLAAFVYPVPDAYPFPHITILSFIFGHLALLGNSLVYLLRQYNARLLDVKGIFLMTFALNALIFVVNLVTGGDYGFLTKPPLVGDHGLVANYLLVSIVLVATISLTKKILEFFLAQEAEKMIAKEA- 1HXM Chain:A ((1-206)) AIELVPEHQTVPVSIGVPATLRCSMKGEAIGNYYINWYRKTQGNTMTFIYREKDIYGPGFKDNFQGDIDIAKNLAVLKILAPS----ERDEGSYYCACDT------LGMGGEYTDKLIFGK--GTRVTVEPRSQPHTKPSVFVMKN--------GTNVACLVKEFYPKDI-----------------RINLVSSKKITEFDPAIVISPSGK------YNAVKLGKYEDSNSV-TCSVQHDNKTVHSTDFE

General information: TITO was launched using: RESULT: Template: 1HXM.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 : 899 -27445 -30.53 -144.45 target 2D structure prediction score : 0.25 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -30.53 2D Compatibility (Sec. Struct. Predict.) : 0.25 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.224

(partial model without unconserved sides chains): PDB file : Tito_1HXM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HXM-query.scw PDB file : Tito_Scwrl_1HXM.pdb: