Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNATKFGKVAVLLGGKSAERAVSLDSGQAVLDALLRSGVQAEAFDPQDRSVTELVN--YDRAFIVLHGRGGEDGQIQGVLEWLNIPYTGTGVQGSAIGMDKVKTKQIWQGSDLPTAPYRIITKET-------DLDSVIAELGLPVIIKPVHEGSSVGMSKVEKAEDFAAAIEKATQHDAVVMAEKWITGREFTISFLNGQPLPVIRLQPPADVAFYDYEAKYQRNDVEYGIPCGLSETEEKKLQALCLRAFQAVGAEGWGRIDAMQDEQGNFWLLEVNTVPGMTSHSLVPKATKAVGYSFDELCVAILEQTLEGTA 5BPH Chain:D ((4-302)) --------KVAVLLGGTSAEREVSLLSGQAVLAGLKEAGIDAYGVDTKDFPVTQLKEQGFDKVFIALHGRGGEDGTLQGVLEFLQLPYTGSGVMASALTMDKLRTKLVWQALGLPISPYVALNRQQFETLSPEELVACVAKLGLPLIVKPSHE-SSVGMSKVDHASELQKALVEAFQHDSDVLIEKWLSGPEFTVAILGDEVLPSIRIQPPG--VFYDYDAK--SDKTQYFCPSGLSDESEQQLAALALQAYHALDCSGWGRVDVMQDRDGHFYLLEVNTSPGMTSHSLVPMAARQYGLSFSQLVARIL--------

General information: TITO was launched using: RESULT: Template: 5BPH.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 : 1529 -32293 -21.12 -112.52 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.85 3D Compatibility (PKB) : -21.12 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.595

(partial model without unconserved sides chains): PDB file : Tito_5BPH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BPH-query.scw PDB file : Tito_Scwrl_5BPH.pdb: