Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVHQAEIIISAVAPKQYPDTQLPEIALAGRSNVGKSSFINTLIDRKNLARTSGKPGKTQTLNFYLIENALHFVDVPGYGYAKVSKTERAKWGKMIETYLTTRDQLRAVVSLVDLRHKPSQEDIQMYQFLKYYDIPVIVVATKADKIPRGKWNKHESEIKKALDFDRNDTFILFSSVTKQGKEEAWAAIEQAIES 3PQC Chain:B ((2-193)) -IIRDVELVKVARTPGDYPPPLKGEVAFVGRSNVGKSSLLNALFNRK-IAFVSKTPGKTRSINFYLVNSKYYFVDLPGYGYAKVSKKERMLWKRLVEDYFKNRWSLQMVFLLVDGRIPPQDSDLMMVEWMKSLNIPFTIVLTKMDKVKMSERAKKLEEHRKVFSKYGEYTIIPTSSVTGEGISELLDLISTLLK-

General information: TITO was launched using: RESULT: Template: 3PQC.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 : 907 -113416 -125.05 -590.71 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -125.05 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_3PQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PQC-query.scw PDB file : Tito_Scwrl_3PQC.pdb: