Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYQSKKVLLLGSGELGKEVVIEAQRLGVQTVAVDSYEHAPAMQVAHNSYVVDMLDPEQIRTIIEKENPDLIVPEVEAIATDELLKLEEEGFHVIPNARAAKLTMDREGIRRLAAETLGLATAGYEFANTYDEFIQAAAQIGFPCVVKPLMSSSGKGQSVCRSEADLESCWETAMEGGRVKNGRVIVEEFIPFESEITLLTVRA-VNGTAFCEPIGHVQKDGDYIESWQPHDMTEQQIEEAKHIAKTITDELGGYGLFGVELFLAKDRVYFSEVSPRPHDTGLVTLVTQNLSEFALHVRAILGFPITEITQLSPGASRPLKAPEELADYTVEGLENALAVPKTQVRVFGKPITKAGRRMAVALSAADSVETARENAKKALDQLILK 1KJQ Chain:A ((9-390)) -PAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMS---KGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCA-PVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAV-GADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQ

General information: TITO was launched using: RESULT: Template: 1KJQ.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 : 2298 -232262 -101.07 -614.45 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -101.07 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_1KJQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KJQ-query.scw PDB file : Tito_Scwrl_1KJQ.pdb: