Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLHAIQTHAETYPQTDAFRSQGQSLTYQELWEQSDRAAAAIQKRISGEKKSPILVYGHMEPHMIVSFLGSVKAGHPYIPVDLSIPSERIAKIIESSGAELLIHAAGLSIDAVGQQIQTVSAEELLENEGGSVSQDQWVKEHETFYIIYTSGSTGNPKGVQISAANLQSFTDWICADFPVSGGKIFLNQAPFSFDLSVMDLYPCLQSGGTLHCVTKDAVNKPKVLFEELKKSGLNVWTSTPSFVQMCLMDPGFSQDLLPHADTFMFCGEVLPVSVAKALLERFPKAKIFNTYGPTEATVAVTSVEITNDVISRSESLPVGFAKPDMNIFIMDEEGQPL-----PEGEKGEIVIAGPSVSRGYLGEPELTEKAFFSHEGQWAYRTGDAGFIQDGQIFCQGRLDFQIKLHGYRMELEEIEFHVRQSQYVRSAVVIPY------QPNGTVEYLIAAIVPEEHEFEKEFQLTSAIKKELAASLPAYMIPRKFIYQDHIQMTANGKIDRKRIGEEVLV 4OXI Chain:A ((212-567)) --------------------------------------------------------------------------------------------------------------------------------------------NEHEYAYIMQTSGSTGKPKRIAVSYSNLHCYISQIDKLFPLNAQDRVGQYSDLTFDLSVHDIFYSLISGACLYVVPELAKLSPA---EFIHHHQLTVWLSVPTVIELALQRQTLTPHSLPSLRLSFFCGQALLHDLAEQW-QQATQQPVINLYGPTECTIAVTYHRFVAH--SGMASVPIGRAFEEECLAIINEQGELMRFESAPEGYRGELLLSGKQLVKGYLNDPLNTQSAFFQHEGRLWYRSGDIVTKSNGVLIHLGRRDHQVKIAGQRVELEEIETVVRRVTQAHSVAIVPWPLSESGYASGTV-----AFVDTHTQWQPDLWL-SQCKQQLNPTF----VPKRWYAIEQLPR----KTDIKALQQQL--

General information: TITO was launched using: RESULT: Template: 4OXI.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 : 1860 -85365 -45.89 -250.34 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -45.89 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_4OXI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OXI-query.scw PDB file : Tito_Scwrl_4OXI.pdb: