Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPATQQMSRLVDSPDGVRIAVYHEGNPDGPTVVLVHGFPDSHVLWDGVVPLLAERFRIVRYDNRGVGRSSVPKPISAYTMAHFADDFDAVIGELSPGEPVHVLAHDWGSVGVWEYLRRPGASDRVASFTSVSGPSQDHLVNYVYGGLRRPWRPRTFLRAISQTLRLSYMALFSVPVVAPLLLRVALSSAAVRRNMVGDIPVDQIHHSETLARDAAHSVKTYPANYFRSFSSSRRGRAIPIVDVPVQLIVNSQDPYVRPYGYDQTARWVPRLWRRDIKAGHFSPMSHPQVMAAAVHDFADLADGKQPSRALLRAQVGRPRGYFGDTLVSVTGAGSGIGRETALAFAREGAEIVISDIDEATVKDTAAEIAARGGIAYPYVLDVSDAEAVEAFAERVSAEHGVPDIVVNNAGIGQAGRFLDTPAEQFDRVLAVNLGGVVNGCRAFGQRLVERGTGGHIVNVSSMAAYAPLQSLSAYCTSKAATYMFSDCLRAELDAAGVGLTTICPGVIDTNIVATTGFHAPGTDEEKIDGRRGQIDKMFALRSYGPDKVADAIVSAVKKKKPIRPVAPEAYALYGISRVLPQALRSTARLRVI |
3EMK Chain:A ((11-192)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VTGATGGLGEAIARALHAQGAIVGLHGTREEKLKELAAELGER---IFVFPANLSDREAVKALGQKAEEEMGGVDILVNNAGITRDGLFVRMSDEDWDAVLTVNLTSVFNLTRELTHPMMRR-RNGRIINITSIVGVTGNPGQANYCASKAGLIGFSKSLAQEIASRNVTVNCIAPGFIES----------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EMK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -85801 for 1417 contacts (-60.6/contact) +
2D Compatibility (PS) -19007 + (NN) -6620 + (LL) 24720
1D Compatibility (HY) -12400 + (ID) 3150
Total energy: -102258.0 ( -72.17 by residue)
QMean score : 0.588
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