Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKNRRLFTSESVTEGHPDKICDQISDSILDEILKKDPNARVACETSVTTGLVLVSGEITTSTYVDIPKTVRQTIKEIGYTRAKYGFDAETCAVLTSIDEQSADIAMGVDQALEAREGTMSDEEIEAIGAGDQGLMFGYACNETKELMPLPISLAHKLARRLSEVRKEDILPYLRPDGKTQVTVEYDEN---NKPVRIDAIVISTQHHPEITLEQIQRNIKEHVINPVVPEELIDEETKYFINPTGRFVIGGPQGDAGLTGRKIIVDTYGGYARHGGGAFSGKDATKVDRSAAYAARYVAKNIVAAELADSCEVQLAYAIGVAQPVSISINTFGSGKASEEKLIEVVRNNFDLRPAGIIKMLDLRRPIYKQTAAYGHFGRHDVDLPWERTDKAEQLRKEALGE 5A1I Chain:A ((15-393)) --EGTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSPDIAQGVHLDR----------NEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVLVQVSYAIGVSHPLSISIFHYGTSQKSERELLEIVKKNFDLRPGVIVRDLDLKKPIYQRTAAYGHFGRD--SFPWEVPKKL----------

General information: TITO was launched using: RESULT: Template: 5A1I.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 : 2345 -24670 -10.52 -65.61 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -10.52 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_5A1I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A1I-query.scw PDB file : Tito_Scwrl_5A1I.pdb: