Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFGYSMVQMVRANAHKLDWPLRETVLQLYKPFKWTPCFLHKFFETKLQNRKKMSVIIEFEEGCHETGFQMAGEVLQKEKRSKLKSRFNKINCCSAEVTPSALHSL--------LSECSNIRKVYLNREVKALLDTATEASHAKEVVRNGQTLTGKGVTVAVVDTGI-YPHPDLEGRIIGFADMVNQKTEPYDDNGHGTHCAGDVASSGASSSGQYRGPAPEANLIGVKVLNKQGSGTLADIIEGVEWCIQYNEDNPDEPIDIMSMSLGGDALRYDHEQEDPLVRAVEEAWSAGIVVCVAAGNSGPDSQTIASPGVSEKVITVGALDDNNTASSDDDTVASFSSRGPTVYGKEKPDILAPGVNIISLRSPNSYIDKLQKSSRVGSQYFTMSGTSMATPICAGIAALILQQNPDLTPDEVKELLKNGTDKWKD--EDPNIYGAGAVNAENSVPGQ 3AFG Chain:A ((14-417)) -----------KNYGLLTPGLFKKVQRMS-------------------WDQEVSTIIMFDNQADKE---KAVEILDFL-GAKIKYNYHIIPALAVKIKVKDLLIIAGLMDTGNAQLS-GVQFIQEDYVVKVA------QVMATNM--WNLGYDGSGITIGIIDTGIDASHPDLQGKVIGWVDFVNGKTTPYDDNGHGTHVASIAAGTGAASNGKYKGMAPGAKLVGIKVLNGQGSGSISDIINGVDWAVQNKDK---YGIKVINLSLGSSQSS---DGTDSLSQAVNNAWDAGLVVVVAAGNSGPNKYTVGSPAAASKVITVGAVDKYD-------VITDFSSRGPTADNRLKPEVVAPGNWIIAARASGTSMG-----QPINDYYTAAPGTAMATPHVAGIAALLLQAHPSWTPDKVKTALIETADIVKPDEIADIAYGAGRVNAYKAAY--

General information: TITO was launched using: RESULT: Template: 3AFG.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 : 2697 -207990 -77.12 -548.78 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -77.12 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_3AFG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AFG-query.scw PDB file : Tito_Scwrl_3AFG.pdb: