Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRAEIIAVGTEILTGQIVNTNAQFLSEKMAELGIDIYFQTAVGDNEERLLSLLDIASQRSQLVILCGGLGPTEDDLTKQTLAKFLGKSLTVDLLASRKLDRFFASRPQFARTPNNERQAQLVEGSIPLQNLTGLAVGGIVTSKGVQYMVLPGPPSELKPMVMEQVVPILSNNGTKLYSRVLRFFGIGESQLVTILEDIIKNQTDPTIAPYAKVGEVTLRLSTKAENQDEADFKLDSLEKEILALKTLDNRKLKDLLYGYGDNNSMARTVLELLKVQNKTITAAESLTAGLFQSQLAEFSGASQVFNGGFTTYSMEAKSQLLGIPKKKLQEYGVVSHFTAEAMAQQARQLLKADFGIGLTGVAGPDELEGYPAGTVFIGIATPEGVSSIKVSIGGKSRSDVRHISTLHAFDLVRRALLKI |
4UUX Chain:B ((3-392)) | -RAEILGVGTELLYGETLDTNTAEIARSLKPYALKVERTLRVADEVAPLAREVEEAFARARLVVLSGGLGPTPDDVTREAVALALGEPLELDEAVLGEIEAFFRARGR-AMPEANRKQAMRIPSATWLKNPRGTAPGWWVRKGGKDLVLLPGPPPEWRPM-WQEVLPRLGLPRRPYAERVLKTWGIGESEIVERLGPLFVRGEEVEVGTYPKVHGVEVVVRGR--------------EDRVAELAERIKKKLLKEVWGEGE-MTLAEAVKRRMEREGATLSTMESLTGGLLGAEITRVPGASRFYLGGVVSYSVGAKAR-FGVPQDLLSR--TVSAETARAMAEAARSLFGSTYALATTGVAGPDPLEGEPPGTVYVALAGPTGAEVRRYRFPG-DRETVRLRSVYAALALLVT----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UUX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186285 for 3234 contacts (-57.6/contact) +
2D Compatibility (PS) -43326 + (NN) -31013 + (LL) 2136
1D Compatibility (HY) -25200 + (ID) 6700
Total energy: -290388.0 ( -89.79 by residue)
QMean score : 0.535
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