Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDPLDILTNIDDVLPYYQAIFSAEEQKVVGYEVLGRILADSEIQSLGPFFLDAGIP--EEYKLEV--DNRIIRQALDRFLEA----DSDLLIFMNQDANLLMLDHGESFLELLKEYEAKGIELHRFVLEITEHNFEGDIEQLYHMLAYYRTYGIKIAVDNIGKESSNLDRIALLSPDLLKIDLQALKVSQPSPSYEHVLYSISLLARKIGAALLYEDIEANFQLQYAWRNGGRYFQGYYLVS--PSETFLERDVLKQRLKTEFHQFITHEKKKLETVYEHSEQFYKRVHQAVTSLRKNNLSSDDDFIKKLAEELTDCSFRIYMCDEEGDQLTGNVFKQDGEWIYQPEYAEKNWSWRPYFLENIMRMRNLRKGFFSDLYSDLETGEMIRTFSYPMDDQMYLFIDLPYSYLYEQDGLI 4LYK Chain:A ((41-276)) ---------------PWIQPVFCAQTGVLTGCEVLVR----WEHPQTGIIPPDQFIPLAESSGLIVIMTRQLMKQTADILMPVKHLLPDNFHIGINVSAGCFLAAGFEK--ECLNLVNKLGNDKIKLVLELTERNPIPVTPEARAIFDSLHQHNITFALDDFGTGYATYRYLQAFPVDFIKIDKSFVQMASVDEISGHIVDNIVELARKPGLSIVAEGVETQEQADLMIGKGVHFLQGYLYSPPVPGNKFISEWVMK----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LYK.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 : 1104 -143591 -130.06 -635.36 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -130.06 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_4LYK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LYK-query.scw PDB file : Tito_Scwrl_4LYK.pdb: