Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LSQFDEVIPRIGTNSEKWDGAEELFGRKDIIPMWVADMDFRAPKPVLDAFQRQIDHGIFGYSTKSKALVEAVIDWNKEQHQFEIDPSTLFFNGAVVPTISLAIRSLTNEGDAVLMVSPIYPPFFNVTKATERKVVMSPLIYENRQYRMDFNDLEKRMKEENVKLFLLCNPQNPGGRCFTKEELVELAKLCEKYQIPIVSDEIHADLVMKNHKHVPMMVAAPFYQDQIITLMAATKTFNLAAIKASYYIITNKDYQTRFAAEQKYATTNGLNVFGIVGTEAAYRHGAPWLKELKEYIYSNYEYVKAELEKEVPEVGVTDLEATYLMWLDCRALPKDEKTIYTDLI-EAGVGVQMGSGFGHSGKGFVRFNIACPKETLEKSVKLLIQGLKK |
3B1D Chain:C ((16-392)) | ---------RLSHHTYKWKETE---TDPQLLPAWIADMDFEVMPEVKQAIHDYAEQLVYGYTYASDELLQAVLDWEKSEHQYSFDKEDIVFVEGVVPAISIAIQAFTKEGEAVLINSPVYPPFARSVRLNNRKLVSNSLKEENGLFQIDFEQLENDIVENDVKLYLLCNPHNPGGRVWEREVLEQIGHLCQKHHVILVSDEIHQDLTLFGHEHVSFNTVSPDFKDFALVLSSATKTFNIAGTKNSYAIIENPTLCAQFKHQQLVNNHHEVSSLGYIATETAYRYGKPWLVALKAVLEENIQFAVEYFAQEAPRLKVMKPQGTYLIWLDFSDYGLTDDALFTLLHDQAKVILNRGSDYGSEGELHARLNIAAPKSLVEEICKRIVCCLPK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B1D.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -247858 for 3261 contacts (-76.0/contact) +
2D Compatibility (PS) -40725 + (NN) -16314 + (LL) 1096
1D Compatibility (HY) -31600 + (ID) 7150
Total energy: -342551.0 ( -105.04 by residue)
QMean score : 0.583
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