Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLHAIQTHAETYPQTDAFRSQGQSLTYQELWEQSDRAAAAIQKRISGEKKSPILVYGHMEPHMIVSFLGSVKAGHPYIPVDLSIPSERIAKIIESSGAELLIHAAGLSI--DAVG-Q---QIQ---TV--SAEELLENE-----------G----GSVSQDQWVKEHETFYIIYTSGSTGNPKGVQISAANLQSFTDWICADFPVSGGKIFLNQAPFSFDLSVMDLYPCLQSGGTLHCVTKDAVNKPKVLFEELKKSGLNVWTSTPSFVQMCLMDPGFSQDLLPHADTFMFCGEVLPVSVAKALLERFPKAKIFNTYGPTEATVAVTSVEITNDVISRSESLPVGFAKPDMNIFIMDEEGQ-----PLPEGEKGEIVIAGPSVSRGYLGEPELTEKAFFSHEGQWAYRTGDAGFIQDGQIFCQGRLDFQIKLHGYRMELEEIEFHVRQSQYVRSAVVIPYQPNGT--VEYLIAAIVPEEHEFEKEFQLTSAIKKELAASLPAYMIPRKFIYQDHIQMTANGKIDRKRIGEEVLV 4OXI Chain:A ((59-567)) ---------AIQANRHAPALWVKQKTYTYQEMTDMALSLSDYWHLQ--G--VQRVAILSVRDLAAYSAIWASYLGGMTYIPLNARATTEQIQETLIATQCDSIMVDAQQLSRLSSLLETCIDRLHIYALPDVDVEPLRQQYPQHTFHTVQITEQDVELLVVKY-LDNEHEYAYIMQTSGSTGKPKRIAVSYSNLHCYISQIDKLFPLNAQDRVGQYSDLTFDLSVHDIFYSLISGACLYVVPEL---AKLSPAEFIHHHQLTVWLSVPTVIELALQRQTLTPHSLPSLRLSFFCGQALLHDLAEQWQQAT-QQPVINLYGPTECTIAVTYHRFVAH--SGMASVPIGRAFEEECLAIINEQGELMRFESAPEGYRGELLLSGKQLVKGYLNDPLNTQSAFFQHEGRLWYRSGDIVTKSNGVLIHLGRRDHQVKIAGQRVELEEIETVVRRVTQAHSVAIVPWPLSESGYASGTVAFVDTHTQ------WQPDLWLSQCKQQLNPTFVPKRWYAIEQLPR----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 : 2655 -82639 -31.13 -175.45 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -31.13 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.510

(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: