Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFSPYTLGHLTLPNRIVMPPMTRSRAASGEVATALMAEYYSQRAGAG-LIVSEGTQISRQGQGYAWTPGIHSAEQVAGWRQVTDAVHAAGGRIFAQLWHVGRVSHTSLQPGNAAPVSSSALVAEGVKVFVDPQGRGAQAGGGEMVQHSAPRALAVEEIREIVADYAQAARNALDAGFDGVELHGANGYLINQFIDSQANARNDQYGGSLENRLRFLREVAEAVTAVVGRERIGVRLAPLTTLQGAVDDTPQATYLAAARLLDEI------GVAYIHIAEADWEDAPAMPAAFKEA-----LRIVYRGSLIYSGMYTKARAEEALARGWADLVGFGRPFIANPDLPYRLEHDLALADGDRSTYFGGG-AAGYTDYPSLPQAAG |
3HGO Chain:B ((18-390)) | -LFSPYKMGKFNLSHRVVLAPMTRCRALN-NIPQAALGEYYEQRATAGGFLITEGTMISPTSAGYPHVPGIFTKEQVREWKKIVDVVHAKGAVIFCQLWHVGRASHEVYQPAGAAPISSTEKPISNRWRILMPDGTHGI--------YPKPRAIGTYEISQVVEDYRRSALNAIEAGFDGIEIHGAHGYLIDQFLKDGINDRTDEYGGSLANRCKFITQVVQAVVSAIGADRVGVRVSPAIDYLDAMDSNPLSLGLAVVERLNKIQLHSGSKLAYLHVTQP------RLGSEEEEARLMRTLRNAYQGTFICSGGYTRELGIEAVAQGDADLVSYGRLFISNPDLVMRIKLNAPLNKYNRKTFYTQDPVVGYTDYPFL----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HGO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166969 for 3148 contacts (-53.0/contact) +
2D Compatibility (PS) -38167 + (NN) -19623 + (LL) 496
1D Compatibility (HY) -28400 + (ID) 7850
Total energy: -260513.0 ( -82.76 by residue)
QMean score : 0.449
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