Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTTNPAAPAAPLAPPDPARIAKTVATKMPFR----GDMTGLTPLAGDASNRRYFRIALKGT--------PSALILMQLADPEGFKKSEEAVSGASAQIAELPFTNVLAHLQRTGVTVPQLHYYDREAGLLYLEDFGDLTLAEACRDADHARLVALYRQAIDQLVLLQVKGTKPPAPGCIAFHRRFDVPLLMWEFDHFLEYGIVARLGQPMK---PADDKAVRAEFQRIAE----LLAGQSQVFVHRDYHSRNLMVDGSRIGIIDFQDALMGPATYDLASLLKDAYIE----------------LDDAVVDGLVDQFLDGLAAHGQGWADRAAFRRLFDFTSIQRNLKAAGRFVYIDRVKHNPKFLADIPRVLGYVKRNLSKYPELATLRQHLAPYVAELQ 3C5I Chain:D ((11-294)) --------------LTDPLYIKKICLEKVPEWNHFTEDNLRVKQIL--LTNQ-LFEVGLKEETANNYNSIRTRVLFRIYGKHV--D----------ELYNTISEFEVYKTMSKYKI-APQLLNTF--NGGRIEEWLYGDPLRIDDL--K---NPTILIGIANVLGKFHTLSRKRHLPEHWD---RTP--CIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNYL-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C5I.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 : 941 804 0.85 3.28 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain D : 0.60 3D Compatibility (PKB) : 0.85 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.258

(partial model without unconserved sides chains): PDB file : Tito_3C5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c5i-query.scw PDB file : Tito_Scwrl_3C5I.pdb: