Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LEKIIVRGGKQLNGSVKMEGAKNAVLPVIAATLLASKGTSVLKNVPNLSDVFTINEVLKYLNADVSFVNDEVTVDATGEITSDAPFEYVRKMRASIVVMGPLLARTGSARVALPGGCAIGSRPVDLHLKGFEAMGAVVKIENGYIEATAE-KLVGAKVYLDFPSVGATQNIMMAATLAEGTTVIENVAREPEIVDLANFLNQMGARVIGAGTEVIRIEGVKELTATEHSIIPDRIEAGTFMIAAAITGGNVLIEDAVPEHISSLIAKLEEMGVQIIEEENGIRV-IGPDKLKAVDVKTMPHPGFPTDMQSQMMVIQMLSEGTSIMTETVFENRFMHVEEMRRMNADMKIEGHSVIISGPAKLQGAEVAATDLRAAAALILAGLVADGYTQVTELKYLDRGYNNFHGKLQALGADVERVDDSKVDVTNLASLF |
1UAE Chain:A ((1-416)) | MDKFRVQGPTKLQGEVTISGAKNAALPILFAALLAEEPVEI-QNVPKLKDVDTSMKLLSQLGAKVER-NGSVHIDARDVNVFCAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCTIGARPVDLHISGLEQLGATIKLEEGYVKASVDGRLKGAHIVMDKVSVGATVTIMCAATLAEGTTIIENAAREPEIVDTANFLITLGAKISGQGTDRIVIEGVERLGGGVYRVLPDRIETGTFLVAAAISRGKIICRNAQPDTLDAVLAKLRDAGADIEVGEDWISLDMHGKRPKAVNVRTAPHPAFPTDMQAQFTLLNLVAEGTGFITETVFENRFMHVPELSRMGAHAEIESNTVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERV-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UAE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -291590 for 4000 contacts (-72.9/contact) +
2D Compatibility (PS) -44581 + (NN) -10572 + (LL) 1132
1D Compatibility (HY) -38400 + (ID) 10450
Total energy: -394461.0 ( -98.62 by residue)
QMean score : 0.545
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