Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKVWITGAGGMMGSHLAEMLLAAGHDVYATYCRPTIDPSDLQ-FNGAEVDITDWCSVYDSIATFRPDAVFHLAAQSYPAVSWARPVETLTTNMVGTAIVFEALRRVRPHAKIIVAGSSAEYGFVDPSEVPINERRELRPLHPYGVSKAATDMLAYQYHKSYGMHTVVARIFNCTGPRKVG-DALSDFVRRCTWL-EHHPEQSAIRVGNLKTKRTIVDVRDLNRALMLMLDKGEAGADYNVGGSIAYEMGDVLKQVIAACKRDDIVPEVDPALLRPTDEKIIYGDCSKLAAITGWQQEICLTQTIADMFDYWRSKSESALMV |
| 2PK3 Chain:A ((13-320)) | MRALITGVAGFVGKYLANHLTEQNVEVFGTSRNNEAK---LPNVEMISLDIMDSQRVKKVISDIKPDYIFHLAAKSSVKDSWLNKKGTFSTNVFGTLHVLDAVRDSNLDCRILTIGSSEEYGMILPEESPVSEENQLRPMSPYGVSKASVGMLARQYVKAYGMDIIHTRTFNHIGPGQSLGFVTQDFAKQIVDIEMEKQE-PIIKVGNLEAVRDFTDVRDIVQAYWLLSQYGKTGDVYNVCSGIGTRIQDVLDLLL-AMANVKIDTELNPLQLRPSEVPTLIGSNKRLKDSTGWKPRIPLEKSLFEILQSYRQ-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PK3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -201928 for 2657 contacts (-76.0/contact) +
2D Compatibility (PS) -32707 + (NN) -14659 + (LL) 852
1D Compatibility (HY) -17600 + (ID) 5450
Total energy: -271492.0 ( -102.18 by residue)
QMean score : 0.519
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