Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFSPYTLGHLTLPNRIVMPPMTRSRAASGEVATALMAEYYSQRAGAG-LIVSEGTQISRQGQGYAWTPGIHSAEQVAGWRQVTDAVHAAGGRIFAQLWHVGRVSHTSLQPGNAAPVSSSALVAEGVKVFVDPQGRGAQAGGGEMVQHSAPRALAVEEIREIVADYAQAARNALDAGFDGVELHGANGYLINQFIDSQANARNDQYGGSLENRLRFLREVAEAVTAVVGRERIGVRLAPLTTLQGAVDDTPQATYLAAARLLDEI------GVAYIHIAEADWEDAPAMPAAFKEA-----LRIVYRGSLIYSGMYTKARAEEALARGWADLVGFGRPFIANPDLPYRLEHDLALADGDRSTYFGGG-AAGYTDYPSLPQAAG |
3HGS Chain:B ((18-390)) | -LFSPYKMGKFNLSHRVVLAPMTRCRALN-NIPQAALGEYYEQRATAGGFLITEGTMISPTSAGFPHVPGIFTKEQVREWKKIVDVVHAKGAVIFCQLWHVGRASHEVYQPAGAAPISSTEKPISNRWRILMPDGTHGI--------YPKPRAIGTYEISQVVEDYRRSALNAIEAGFDGIEIHGAHGYLIDQFLKDGINDRTDEYGGSLANRCKFITQVVQAVVSAIGADRVGVRVSPAIDHLDAMDSNPLSLGLAVVERLNKIQLHSGSKLAYLHVTQP---------SEEEEARLMRTLRNAYQGTFICSGGYTRELGIEAVAQGDADLVSYGRLFISNPDLVMRIKLNAPLNKYNRKTFYTQDPVVGYTDYPFLQ---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HGS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -165986 for 3103 contacts (-53.5/contact) +
2D Compatibility (PS) -37640 + (NN) -18823 + (LL) 880
1D Compatibility (HY) -27200 + (ID) 7800
Total energy: -256569.0 ( -82.68 by residue)
QMean score : 0.465
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