Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVKVFFTT---EEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCA--TLDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTKRYMAPEVLD-ESLNKNHFQPYIMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSN-RWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI 5JSM Chain:D ((13-267)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QITVGQRIGSGSFGTVYKGKWHGD-VAVKMLNV-PTPQQLQAFK-NEVGVLRKTRHVNILLFMGYSTK-----PQLAIVTQWCEGSSLYHHLHASETKFEMKKLIDIARQTARGMDYLHAK--------SIIHRDLKSNNIFLHEDNTVKIGDFGLATEKS-------------SGSILWMAPEVIRM---NPYSFQ----SDVYAFGIVLYEL----MTG------QLPYSNI---D----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 D - contact count / total energy / energy per contact / energy per residue : 1107 -22913 -20.70 -100.05 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : -20.70 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.186

(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: