Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDSVTLACGNGGKETNALIERVFMPYLKEWIVAFDEDAPKFEASGEYCVSTDSFVITPLIFNGGDIGKLCVCGSANDVSVQGGEPLYLNMGFILEEGLEIPLLKQILQSIQKELFKANLKLLSLDTKVVPKGSVDK--LFINTTCIGKIIKPGISSRHLQQGQAIILSDTIANHGASLFATRHEIKLKTNLQSDCQLLYPLLKPL--FLSDLKIDALRDATRGGLASVLNEWANSSRVKIVIEEEKIPLKEETKGICEILGLEPYALANEGVFVLALNQKDAPKALEILKSNEKAKNACVIGGVFENPYPSVVLKNAWGFERILEMPEGELLPRIC |
3WJR Chain:A ((40-338)) | --------------------------------ALDDGATIPFGDKHIVFTIDGHTVKPLFFPGGDIGRLAVSGTVNDLAVMGAEPIALANSMIIGEGLDMEVLKRVLKSMDETAREVPVPIVTGDTKVVE----DKIEMFVITAGIGIAEHP-VSDAGAKVGDAVLVSGTIGDHGIALMSHREGIAFETELKSDVAPIWDVVKAVAETIGWENIHAMKDPTRAGLSNALNEIARKSNVGILVREADIPIRPEVRAASEMLGISPYDVANEGKVVMVVAREYAEEALEAMRKTEKGRNAAIIGEVIADYRGKVLLETGIGGKRFMEPPEGDPVPRIC |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WJR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -190926 for 2672 contacts (-71.5/contact) +
2D Compatibility (PS) -31025 + (NN) -7484 + (LL) 2260
1D Compatibility (HY) -23600 + (ID) 5450
Total energy: -256225.0 ( -95.89 by residue)
QMean score : 0.405
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