Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LEKIIVRGG-KQLNGSVKMEGAKNAVLPVIAATLLASKGTSVLKNVPNLSDVFTINEVLKYLNADVSFVNDEVTVDATGEITSDAPFEYVRKMRASIVVMGPLLARTGSARVALPGGCAIGSRPVDLHLKGFEAMGAVVKIENGYIEATAE-KLVGAKVYLDFPSVGATQNIMMAATLAEGTTVIENVAREPEIVDLANFLNQMGARVIGAGTEVIRIEGVKELTATEHSIIPDRIEAGTFMIAAAITGGNVLIEDAVPEHISSLIAKLEEMGVQIIEEENGIRV-IGPDKLKAVDVKTMPHPGFPTDMQSQMMVIQMLSEGTSIMTETVFENRFMHVEEMRRMNADMKIEGHSVIISGPAKLQGAEVAATDLRAAAALILAGLVADGYTQVTELKYLDRGYNNFHGKLQALGADVERVDDSKVDVTNLASLF |
3VCY Chain:C ((1-417)) | MDKFRIQGSDKPLSGEVTISGAKNAALPILFASLLAEEPVEV-ANVPKLRDVDTTMELLKRLGAEVSR-NGSVHIDASGVNDFCAPYDLVKTMRASIWALGPLVARFGKGQVSLPGGCAIGARPVDLHIHGLEQLGATIKLEEGYVKAEVDGRLKGAHIVMDKVSVGATITVMCAATLAEGTTVLENAAREPEIVDTANFLNAIGAKVSGMGTDTITIEGVERLGGGYHEVVADRIETGTFLVAAAVSGGKIVCKNTKAHLLEAVLAKLEEAGADVQTGDDWISLDMTGRELKAVNIRTAPHPAFPTDMQAQFTLLNMMAKGSGIITETIFENRFMHIPELQRMGAHAEIEGNTAICGDTDGLSGAQVMATDLRASASLVIAGCIAKGETIVDRIYHIDRGYDKIEDKLTALGANIERV-------------- |
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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) -313780 for 3912 contacts (-80.2/contact) +
2D Compatibility (PS) -44864 + (NN) -12249 + (LL) 1132
1D Compatibility (HY) -38400 + (ID) 10450
Total energy: -418611.0 ( -107.01 by residue)
QMean score : 0.516
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