Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPATQQMSRLVDSPDGVRIAVYHEGNPDGPTVVLVHGFPDSHVLWDGVVPLLAERFRIVRYDNRGVGRSSVPKPISAYTMAHFADDFDAVIGELSPGEPVHVLAHDWGSVGVWEYLRRPGASDRVASFTSVSGPSQDHLVNYVYGGLRRPWRPRTFLRAISQTLRLSYMALFSVPVVAPLLLRVALSSAAVRRNMVGDIPVDQIHHSETLARDAAHSVKTYPANYFRSFSSSRRGRAIPIVDVPVQLIVNSQDPYVRPYGYDQTARWVPRLWRRDIKAGHFSPMSHPQVMAAAVHDFADLADGKQPSRALLRAQVGRPRGYFGDTLVSVTGAGSGIGRETALAFAREGAEIVISDIDEATVKDTAAEIAARGGIAYPYVLDVSDAEAVEAFAERVSAEHGVPDIVVNNAGIGQAGRFLDTPAEQFDRVLAVNLGGVVNGCRAFGQRLVERGTGGHIVNVSSMAAYAPLQSLSAYCTSKAATYMFSDCLRAELDAAGVGLTTICPGVIDTNIVATTGFHAPGTDEEKIDGRRGQIDKMFALRSYGPDKVADAIVSAVKKKKPIRPVAPEAYALYGISRVLPQALRSTARLRVI |
3WYE Chain:A ((7-189)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VTGAGQGIGKAIALRLVKDGFAVAIADYNDATAKAVASEINQAGGHAVAVKVDVSDRDQVFAAVEQARKTLGGFDVIVNNAGIAQIKPLLEVTEEDLKQIYSVNVFSVFFGIQAAVEAFKKEGHGGKIINAASIAAIQGFPILSAYSTTKFAVRGLTQTAARDLAPLGITVNGYCPGIVGTGM--------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WYE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -78632 for 1511 contacts (-52.0/contact) +
2D Compatibility (PS) -19847 + (NN) -6052 + (LL) 24908
1D Compatibility (HY) -11600 + (ID) 3300
Total energy: -94523.0 ( -62.56 by residue)
QMean score : 0.539
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