Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVKVFFTT----EEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCA--TLDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFN-SDTNEVDVPLNTRVGTKRYMAPEVLD-ESLNKNHFQPYIMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSN-RWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI 5JSM Chain:B ((13-267)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QITVGQRIGSGSFGTVYKGKWHGD-VAVKMLNVTAPTPQQLQAFK-NEVGVLRKTRHVNILLFMGYSTK-----PQLAIVTQWCEGSSLYHHLHASETKFEMKKLIDIARQTARGMDYLHAK--------SIIHRDLKSNNIFLHEDNTVKIGDFGLATEKSR---------------SILWMAPEVIRM---NPYSFQ----SDVYAFGIVLYEL----MTG------QLPYSNINNRD----QIIEMVGRGSLSPDLSKVRSN---CPKRMKRLMAECLKKKRDERPSFPRI---------------

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 B - contact count / total energy / energy per contact / energy per residue : 1113 -8959 -8.05 -38.78 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -8.05 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.205

(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: