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 |
4E26 Chain:A ((37-277)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QITVGQRIGSGSFGTVYKGKWHGD-VAVKMLNVTAPTPQQLQAFK-NEVGVLRKTRHVNILLFMGYSTK-----PQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAK--------SIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSR------FEQLS---GSILWMAPEVI-RMQDKN---PYSFQSDVYAFGIVLYEL----MTG------QLPYSNINNRD------QIIFMVGRGYLSPDLSK--VRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPK-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4E26.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -142399 for 1721 contacts (-82.7/contact) +
2D Compatibility (PS) -23743 + (NN) -6764 + (LL) 16192
1D Compatibility (HY) -18800 + (ID) 4450
Total energy: -179964.0 ( -104.57 by residue)
QMean score : 0.423
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