Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLRSAGKLNVGTKKEDGESTAPTPRPKVLRCKCHHHCPEDSVNNICSTDGYCFTMIEEDDSGLPVVTSGCLGLEGSDFQCRDTPIPHQRRSIECCTERNECNKDLHPTLPPLKNRDFVDGPIHHRALLISVTVCSLLLVLIILFCYFRYKRQETRPRYSIGLEQDETYIPPGESLRDLIEQSQSSGSGSGLPLLVQRTIAKQIQMVKQIGKGRYGEVWMGKWRGEKVAVKVFFTT----EEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDYLKS--TTLDAKSMLKLAYSSVSGLCHLHTEIFSTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVK-FISDTNEVDIPPNTRVGTKRYMPPEVLD-ESLNRNHFQSYIMADMYSFGLILWEVARRCVSGGIVEEYQLPYHDLVPSDPSYEDMREIVCIKKLRPSFPNRWSSDECLRQMGKLMTECWAHNPASRLTALRVKKTLAKMSESQDIKL 5JSM Chain:A ((13-253)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QITVGQRIGSGSFGTVYKGKWHGD-VAVKMLNVTAPTPQQLQAFK-NEVGVLRKTRHVNILLFMGYSTK-----PQLAIVTQWCEGSSLYHHLHASETKFEMKKLIDIARQTARGMDYLHAK--------SIIHRDLKSNNIFLHEDNTVKIGDFGLATEK---------------SGSILWMAPEVIRMQDSNPYSFQS----DVYAFGIVLYEL----MTG------QLPYSNINNRD----QIIEMVGRGSLSPDLSKVRSN--CPKRMKRLMAEC-----------------------------

General information: TITO was launched using: RESULT: Template: 5JSM.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 : 1038 819 0.79 3.70 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 0.79 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.134

(partial model without unconserved sides chains): PDB file : Tito_5JSM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5jsm-query.scw PDB file : Tito_Scwrl_5JSM.pdb: