Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLTDILVCLSEKQNGRRNNMSDIIIGILLVISFFFMVWYCVKGYNLMVGFAIMATVWMGLALVGNTFSPNPAMEGQGVIDVLTHIYTTGPAEYAKSILVNVFFGAFFGRVLVDSGIAATLIRKVVELGG--D-KPRITMSLLCIVTAVIFMSMTG-IG--PVISIAVIVLPILMSLGISVPVALFSFMGSIMAGIFANIVNFKQYQTIYAGFNPAAESYTYNDYFQIGMIGMIVSLVVVLTVANISMNKKKRYAMAANVPAEGGDAPMISWLAVLLPVLGVVLLDLPIILGFILAGIWALLFTGKLRGGYKEICRQFAKLFTDGAVDVAPMVGFLMTLAMFNNSAAYASPYFSAIFGDWIPQSPLVLAIVFAILTPLGFFRGPMNLVGSGSAILAVVLAVNPTMSPAFLFPLFAITTIAPQHLDITQSWVAWGLGYTKVTSREYMKKSIPTGWIIGAILCLITFLLYGNA 4R0C Chain:D ((326-440)) -------------------------------------------------------------------------------------AMEVTMASMAGY-LVLMFFAAQFVAWFNYSQLGLLLAVKGAAWLGALTVPKVVLLLLFVVLTALI--NLMIGSASAKWSILAPVFIPMLMLLGISPEASQAAYRVGDSSTNIITPLMP----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R0C.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 283 -52717 -186.28 -483.64 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain D : 0.43 3D Compatibility (PKB) : -186.28 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.43 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_4R0C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R0C-query.scw PDB file : Tito_Scwrl_4R0C.pdb: