Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLLLALLPALFWGSIVLFNVKLGGGPYSQTLGTTIGALIVSIVIYFFVQPVLSLRIFIVGIVSGLFWSLGQANQLKSIQLMGVS----KTMPISTGMQLVSTSLFGVIVFREWSTPIAITLGVLALIFIIVGIILTSLEDKNDKKE----GEPSNLKKGILILLVSTLGYLVYVVVARLFNVSGWSALLPQAI------------GMVVGGLVLTYRHKPFNKYAIRNILPGLIWAGGNMFLFISQPRVGVATSFSLSQMGIVISTLGGIFILREKKTKRQLIAIAIGIILIIAAAVFLGIAKTNS 1BTK Chain:A ((1-169)) ------------------------------------------------------------------------AAVILESIFLKRSQQKKKTSPLNFKKCLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILEN---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1BTK.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 : 574 -102508 -178.58 -732.20 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : -178.58 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_1BTK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BTK-query.scw PDB file : Tito_Scwrl_1BTK.pdb: