Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVWITGAGGMMGSHLAEMLLAAGHDVYATYCRPTIDPSDLQFNGAEVDITDWCSVYDSIATFRPDAVFHLAAQSYPAVSWARPVETLTTNMVGTAIVFEALRRVRPHAKIIVAGSSAEYGFVDPSEVPINERRELRPLHPYGVSKAATDMLAYQYHKSYGMHTVVARIFNCTGP-RKVGDALSDFVRRCTWLEHHPEQSAIRVGNLKTKRTIVDVRDLNRALMLMLDKGEAGADYNVGGSIAYEMGDVLKQVIAACKRDDIVPEVDPALLRPTDEKIIYGDCSKLAAITGWQQEICLTQTIADMFDYWRSKSESALMV |
2PK3 Chain:B ((13-319)) | MRALITGVAGFVGKYLANHLTEQNVEVFGTSRNNEAKLPNVEM--ISLDIMDSQRVKKVISDIKPDYIFHLAAKSSVKDSWLNKKGTFSTNVFGTLHVLDAVRDSNLDCRILTIGSSEEYGMILPEESPVSEENQLRPMSPYGVSKASVGMLARQYVKAYGMDIIHTRTFNHIGPGQSLGFVTQDFAKQIVDIEMEKQEPIIKVGNLEAVRDFTDVRDIVQAYWLLSQYGKTGDVYNVCSGIGTRIQDVLDLLLAMANV-KIDTELNPLQLRPSEVPTLIGSNKRLKDSTGWKPRIPLEKSLFEILQSYR--------- |
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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) -212031 for 2668 contacts (-79.5/contact) +
2D Compatibility (PS) -33167 + (NN) -17393 + (LL) 476
1D Compatibility (HY) -17600 + (ID) 5450
Total energy: -285165.0 ( -106.88 by residue)
QMean score : 0.534
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