Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAHTEQYRFPKDFWWGSSASATQMEGAADRDGKGQNIWDYWFEKEPHRFFDHVGPADTSQFYDNYKEDIRLMKELGHNSFRMSISWSRLIPNGTGEINDKAADFYNNVIDELIANGIEPFVNLFHFDMPMALQKIGGWVNRETVDAYENYARTCFRLFGGRVKKWFTHNEPIVPVEGGYLYDFHYPNKVDFKEAVQVGFHTMLSSARAIQAYREMKQDG-KIGIILNLTPSYPRSSHPADVKAGEIADAFFNRSFLDPSVKGEFPKELVDILKHEGFMPDYNA-EDLDIIKKNTVDLLGVNYYQPRRVKAKEHLPNPDAPFLPDRYFDPYVMPGRKMNPHRGWEIYEKGVYDILINLKENYGNIECFISENGMGVEGEERFRDEQGIIQDDYRIEFIKEHLKWIHRAIQEGSNVKGYHLWTFMDNWSWTNAYKNRYGFVSVNLEKDGERTVKKSGKWFKEVAEHSGF 3CMJ Chain:A ((24-463)) ------KKFPEGFLWGAATSSYQIEGAWNEDGKGESIWDR-FTRIPGKIKNGDSGDVACDHYHRYEQDLDLMRQLGLKTYRFSIAWARIQPDSSRQINQRGLDFYRRLVEGLHKRDILPMATLYHWDLPQWVEDEGGWLSRESASRFAEYTHALVAALGDQIPLWVTHNEPMVTVWAGYHMGLFAPGLKDPTLGGRVAHHLLLSHGQALQAFRALSPAGSQMGITLNFNTIYPVSAEPADVEAARRMHSFQNELFLEPLIRGQYNQATLMAYPN---LPEFIAPEDMQTISA-PIDFLGVNYYNPMRVKSSPQPPGIE------------VVQVESPVTAMGWEIAPEGLYDLLMGITRTYGKLPIYITENGAAFDDQP---DQSGQVNDPQRVGYFQGHIGAARRALADGVDLRGYYAWSLLDNFEWAEGYSKRFGIIYVDFETQ-QRTLKQSAQWYRDVIANNGL

General information: TITO was launched using: RESULT: Template: 3CMJ.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 : 2592 -187442 -72.32 -427.95 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -72.32 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_3CMJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CMJ-query.scw PDB file : Tito_Scwrl_3CMJ.pdb: