Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDFLEIVG-QVPLKGEVEISGAKNSALPILAATLLSHQEVKIKSLPQVVDIKAMALLLQNLGAELEWLNPHTLQLSAKSLHHTEATYDLVRKMRASILVLGPLLARFKECLVSLPGGCAIGARPVDLHLKAMQQLGAEIKIEQGYIHAKAPKGLKGNDILFDKISVTGTENALMAASLAKGITRIINAAKEPEIAQLCAFLQSGGVEIEGVDSSELKIRGVESDALNLKDIQIIPDRIEAGTCLCVGAITNSQLKINHIIPNHIQAITDKLIEIGFPLDIQENSIEI-YPAKKRQAFEITTKEYPGFPTDMQAQFMALATQCLGTSIIEETLFENRFMHASELQRLGANISLKTNVATISGSTELTGSDVMATDLRASSALVLAALVAKGVSRVHRIYHLDRGYERLEDKVNALGAKVLRLKEK |
3VCY Chain:D ((1-417)) | MDKFRIQGSDKPLSGEVTISGAKNAALPILFASLLAEEPVEVANVPKLRDVDTTMELLKRLGAEVS--RNGSVHIDASGVNDFCAPYDLVKTMRASIWALGPLVARFGKGQVSLPGGCAIGARPVDLHIHGLEQLGATIKLEEGYVKAEVDGRLKGAHIVMDKVSVGATITVMCAATLAEGTTVLENAAREPEIVDTANFLNAIGAKVSGMGTDTITIEGVER--LGGGYHEVVADRIETGTFLVAAAVSGGKIVCKNTKAHLLEAVLAKLEEAGADVQTGDDWISLDMTGRELKAVNIRTAPHPAFPTDMQAQFTLLNMMAKGSGIITETIFENRFMHIPELQRMGAHAEIEGNTAICGDTDGLSGAQVMATDLRASASLVIAGCIAKGETIVDRIYHIDRGYDKIEDKLTALGANIERVHS- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VCY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -306786 for 3927 contacts (-78.1/contact) +
2D Compatibility (PS) -43801 + (NN) -4266 + (LL) 464
1D Compatibility (HY) -34000 + (ID) 9500
Total energy: -397889.0 ( -101.32 by residue)
QMean score : 0.496
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