Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAESAFSERIVQNLLDTDFYKLTMMQAVLHNYPNAEVEWEFRCRNQEDLRLYLPAIREQLEYLAGLAISDEQLAFLERIPFLAPDFIRFLGLFRFNPRYVQTGIENDEFFLRLKGPWLHVILFEVPLLAMISEVRNRARYPAATVEQARERLQEKFDWLRREASAEELAGFKMADFGTRRRFSYRVHEAVVSGLKEDFPGCFVGTSNVHLARKLDLKPLGTMAHEWLMAHQQLGPRLIDSQSAALDCWVREYRGLLGIALTDCITTDAFLRDFDLYFAKLFDGLRHDSGDPLLWAEKTIAHYLKLGIDPLTKTLVFSDGLDLPRALKIYRALQGRINVSFGIGTHFTCDLPGVEPMNIVVKMSACNGHPVAKISDTPGKAQCRDPDFIHYLKHVFQVA |
1YIR Chain:C ((3-399)) | LAESAFSERIVQNLLDTDFYKLTMMQAVLHNYPNAEVEWEFRCRNQEDLRLYLPAIREQLEYLAGLAISDEQLAFLERIPFLAPDFIRFLGLFRFNPRYVQTGIENDEFFLRLKGPWLHVILFEVPLLAMISEVRNRARYPAATVEQARERLQEKFDWLRREASAEELAGFKMADFGTRRRFSYRVHEAVVSGLKEDFPGCFVGTSNVHLARKLDLKPLGTMAHEWLMAHQQLGPRLIDSQSAALDCWVREYRGLLGIALTDCITTDAFLRDFDLYFAKLFDGLRHDSGDPLLWAEKTIAHYLKLGIDPLTKTLVFSDGLDLPRALKIYRALQGRINVSFGIGTHFTCDLPGVEPMNIVVKMSACNGHPVAKISDTP-------PDFIHYLKHVFQV- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1YIR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -275932 for 3306 contacts (-83.5/contact) +
2D Compatibility (PS) -42670 + (NN) -26067 + (LL) 380
1D Compatibility (HY) -61200 + (ID) 19450
Total energy: -424939.0 ( -128.54 by residue)
QMean score : 0.646
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