Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSEDRHLGSSCGSFIKTEPSSPSSGIDALSHHSPSGSSDASGGFGIALSTHANGLDSPPMFAGAGLGGNPCRKSYEDCTSGIMEDSAIKCEYMLNAIPKRLCLVCGDIASGYHYGVASCEACKAFFKRTIQGNIEYNCPATNECEITKRRRKSCQACRFMKCLKVGMLKEGVRLDRVRGGRQKYKRRLDSENSPYLNLPISPPAKKPLTKIVSNLLGVEQDKLYAMPPNDIPEGDIKALTTLCELADRELVFLINWAKHIPGFPSLTLGDQMSLLQSAWMEILILGIVYRSLPYDDKLAYAEDYIMDEEHSRLVGLLDLYRAILQLVRRYKKLKVEKEEFMILKALALANSDSMYIENLEAVQKLQDLLHEALQDYE--LSQRHEEPRRAGKLLWTLPLLRQTAAKAVQHFYSVKLQGKVPMHKLFLEMLEAKV |
2PJL Chain:B ((15-244)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QGPVNALVSHLLVVEPEKLYAM---------LPAVATLSDLFDREIVVTISWAKSIPGFSSLSLSDQMSVLQSVWMEVLVLGVAQRSLPLQDELAFAEDLVLDEEGARAAGLGELGAALLQLVRRLQALRLEREEYVLLKALALANSDSVHIEDAEAVEQLREALHEALLEYEAG-------RRRAGRLLLTLPLLRQTAGKVLAHFYGVKLEGKVPMHKLFLEMLEAM- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PJL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -141489 for 1618 contacts (-87.4/contact) +
2D Compatibility (PS) -23136 + (NN) -20426 + (LL) 8332
1D Compatibility (HY) -27200 + (ID) 6650
Total energy: -210569.0 ( -130.14 by residue)
QMean score : 0.620
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