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 |
1UWH Chain:B ((9-249)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QITVGQRIGSGSFGTVYKGKWHGD-VAVKMLNVTAPTPQQLQAFK-NEVGVLRKTRHVNILLFM-----GYSTAPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAK--------SIIHRDLKSNNIFLHEDLTVKIGDFGLATV------------LS---GSILWMAPEVIRMQ-DKN---PYSFQSDVYAFGIVLYEL----MTG------QLPYSNINNRD------QIIFMVGRGYLSPDLSKV--RSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPK-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -137685 for 1650 contacts (-83.4/contact) +
2D Compatibility (PS) -23125 + (NN) -7046 + (LL) 17000
1D Compatibility (HY) -20000 + (ID) 4400
Total energy: -175256.0 ( -106.22 by residue)
QMean score : 0.411
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