Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTPAILALADGTIFKGTSIGATGSTTGEVVFNTAMTGYQEILTDPSYAQQIVTLTYPHIGNTGCNEEDVESGRIHKVWANGLIIRDLPLLHSNFRSEQSLSEYLQAHNVVAIADIDTRKLTRILRDKGAQNGCILAGENITEEEAIAKARAFGGLNGLDLAKECCDPTGFEWSEGSWVLGKGFTQP----ELKYHVVAYDYGVKTNILRMLADRGCKLTVVPAETPAEKVLALNPDGVFLSNGPGDPAACDYAIEAVKTIVETTTLPVFGICLGHQILALASGAKTVKMNHGHHGANHPVQNLEDGTVIITSQNHGFAVDAETLPANLKATHKSLFDGTLQGIHRTDKPAFSFQGHPEASPGPHDCAPLFDHFIELIEASKQ 1BXR Chain:B ((2-379)) -IKSALLVLEDGTQFHGRAIGATGSAVGEVVFNTSMTGYQEILTDPSYSRQIVTLTYPHIGNVGTNDADEESSQVH---AQGLVIRDLPLIASNFRNTEDLSSYLKRHNIVAIADIDTRKLTRLLREKGAQNGCIIAGDNPDAALALEKARAFPGLNGMDLAKEVTTAEAYSWTQGSWTLTGGLPQAKKEDELPFHVVAYDFGAKRNILRMLVDRGCRLTIVPAQTSAEDVLKMNPDGIFLSNGPGDPAPCDYAITAIQKFLETD-IPVFGICLGHQLLALASGAKTVKMKFGHHGGNHPVKDVEKNVVMITAQNHGFAVDEATLPANLRVTHKSLFDGTLQGIHRTDKPAFSFQGHPEASPGPHDAAPLFDHFIELIEQYRK

General information: TITO was launched using: RESULT: Template: 1BXR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2448 -58434 -23.87 -156.24 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.93 3D Compatibility (PKB) : -23.87 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_1BXR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BXR-query.scw PDB file : Tito_Scwrl_1BXR.pdb: