Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPATQQMSRLVDSPDGVRIAVYHEGNPDGPTVVLVHGFPDSHVLWDGVVPLLAERFRIVRYDNRGVGRSSVPKPISAYTMAHFADDFDAVIGELSPGEPVHVLAHDWGSVGVWEYLRRPGASDRVASFTSVSGPSQDHLVNYVYGGLRRPWRPRTFLRAISQTLRLSYMALFSVPVVAPLLLRVALSSAAVRRNMVGDIPVDQIHHSETLARDAAHSVKTYPANYFRSFSSSRRGRAIPIVDVPVQLIVNSQDPYVRPYGYDQTARWVPRLWRRDIKAGHFSPMSHPQVMAAAVHDFADLADGKQPSRALLRAQVGRPRGYFGDTLVSVTGAGSGIGRETALAFAREGAEIVISDIDEATVKDTAAEIAARGGIAYPYVLDVSDAEAVEAFAERVSAEHGVPDIVVNNAGIGQAGRFLDTPAEQFDRVLAVNLGGVVNGCRAFGQRLVERGTGGHIVNVSSMAAYAPLQSLSAYCTSKAATYMFSDCLRAELDAAGVGLTTICPGVIDTNIVATTGFHAPGTDEEKIDGRRGQIDKMFALRSYGPDKVADAIVSAVKKKKPIRPVAPEAYALYGISRVLPQALRSTARLRVI |
4NBU Chain:D ((13-197)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DKVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGKEA---VEANPGVVFIRV-DVSDRESVHRLVENVAERFGKIDILINNAGITRDSMLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGK-GKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAMVA------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NBU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -95358 for 1572 contacts (-60.7/contact) +
2D Compatibility (PS) -20464 + (NN) -9740 + (LL) 24652
1D Compatibility (HY) -10800 + (ID) 3250
Total energy: -114960.0 ( -73.13 by residue)
QMean score : 0.542
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