Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATLFDPIVLGDLELPNRIVMAPLTRCRADEGRVPNALMAEYYAQRAD-AGLILSEATAVTPMGVGYPDTPGIWSDDQVRGWSNVTKAVHAAGGRIFLQLWHVGRISDPLYL-NGELPVAPS------AIAAEGHVSLVRPKRPYVTPRALDTEEIADIVEAYRQGAERAKAAGFDGVEIHGANGYLLDQFLQDSTNKRTDRYGGSIENRARLLLEVTDAAISVWGAQRVGVHLAPRADSHDMGDSNRLETFSHVARELGKRGIAF---ICAR-EAQADDSIGVALKKAFGGPYIANEQFTLDSANAILAKGDADAVAFGVPFIANPDLVERLRQGAELNPPRPETFYTGG-TEGYLDYPTLA |
2Q3R Chain:A ((12-368)) | ---LLTPYKMGRFNLSHRVVLAPLTRQRS-YGNVPQPHAAIYYSQRTTPGGFLITEATGVSDTAQGYQDTPGIWTKEHVEAWKPIVDAVHAKGGIFFCQIWHVGRVSNSGFQPNGKAPISCSDKPLMPQIRSNGIDEAL-----FTPPRRLGIEEIPGIVNDFRLAARNAMEAGFDGVEIHGANGYLIDQFMKDTVNDRTDEYGGSLQNRCKFPLEIVDAVAKEIGPDRVGIRLSPFADYMESGDTNPGALGLYMAESLNKYGILYCHVIEARM------HTLMPMRKAFKGTFISAGGFTREDGNEAVSKGRTDLVAYGRWFLANPDLPKRFQVDAPLNKYDRPTFYTSDPVVGYTDYPFL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2Q3R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179747 for 2973 contacts (-60.5/contact) +
2D Compatibility (PS) -36170 + (NN) -18898 + (LL) 816
1D Compatibility (HY) -22800 + (ID) 7600
Total energy: -264399.0 ( -88.93 by residue)
QMean score : 0.598
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