Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDFLEIVGQVPLKGEVEISGAKNSALPILAATLLSHQEVKIKSLPQVVDIKAMALLLQNLGAELEWLNPHTLQLSAKSLHHTEATYDLVRKMRASILVLGPLLARFKECLVSLPGGCAIGARPVDLHLKAMQQLGAEIKIEQGYIHAKAPKGLKGNDILFDKISVTGTENALMAASLAKGITRIINAAKEPEIAQLCAFLQSGGVEIEGVDSSELKIRGVESDALNLKDIQIIPDRIEAGTCLCVGAITNSQLKINHIIPNHIQAITDKLIEIGFPLDIQENSIEI-YPAKKRQAFEITTKEYPGFPTDMQAQFMALATQCLGTSIIEETLFENRFMHASELQRLGANISLKTNVATISGSTELTGSDVMATDLRASSALVLAALVAKGVSRVHRIYHLDRGYERLEDKVNALGAKVLRLKEK |
1A2N Chain:A ((1-417)) | MDKFRVQGPTKLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDVDTSMKLLSQLGAKVE--RNGSVHIDARDVNVFCAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGATIGARPVDLHISGLEQLGATIKLEEGYVKASVDGRLKGAHIVMDKVSVGATVTIMCAATLAEGTTIIENAAREPEIVDTANFLITLGAKISGQGTDRIVIEGVER--LGGGVYRVLPDRIETGTFLVAAAISRGKIICRNAQPDTLDAVLAKLRDAGADIEVGEDWISLDMHGKRPKAVNVRTAPHPAFPTDMQAQFTLLNLVAEGTGFITETVFENRFMHVPELSRMGAHAEIESNTVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERVKG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1A2N.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -306833 for 4007 contacts (-76.6/contact) +
2D Compatibility (PS) -44067 + (NN) -6707 + (LL) 504
1D Compatibility (HY) -34000 + (ID) 9700
Total energy: -400803.0 ( -100.03 by residue)
QMean score : 0.531
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