Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVKVFFTT----EEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCA--TLDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTKRYMAPEVLD-ESLNKNHFQPYIMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSN-RWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI |
3C4C Chain:A ((13-267)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QITVGQRIGSGSFGTVYKGKWHGD-VAVKMLNVTAPTPQQLQAFK-NEVGVLRKTRHVNILLFMGYSTK-----PQLAIVTQWCEGSSLYHHLHASETKFEMKKLIDIARQTARGMDYLHAK--------SIIHRDLKSNNIFLHEDNTVKIGDFG----------------S---GSILWMAPEVIRMQDSNPYSFQ----SDVYAFGIVLYEL----MTG------QLPYSNINNRD----QIIEMVGRGSLSPDLSKVRSN---CPKRMKRLMAECLKKKRDERPSFPRILAEIEELARELS--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C4C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138771 for 1767 contacts (-78.5/contact) +
2D Compatibility (PS) -23543 + (NN) -2467 + (LL) 16608
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -168523.0 ( -95.37 by residue)
QMean score : 0.406
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