Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVKVFFTT----EEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKC--ATLDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLA-VKFNSDTNEVDVPLNTRVGTKRYMAPEVLDESLNKNHFQPY-IMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKR--LRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI |
4MBJ Chain:B ((37-277)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QITVGQRIGSGSFGTVYKGKWHGD-VAVKMLNVTAPTPQQLQAFK-NEVGVLRKTRHVNILLFMGYSTK-----PQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAK--------SIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWSGSHQFEQLS---GSILWMAPEVI-RMQDKN---PYSFQSDVYAFGIVLYEL----MTG------QLPYSNINNRD------QIIFMVGRGYLSPDLSKV--RSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPK-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MBJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -145843 for 1780 contacts (-81.9/contact) +
2D Compatibility (PS) -24154 + (NN) -5943 + (LL) 15848
1D Compatibility (HY) -18400 + (ID) 4450
Total energy: -182942.0 ( -102.78 by residue)
QMean score : 0.436
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