Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LEKIIVRGGKQLNGSVKMEGAKNAVLPVIAATLLASKGTSVLKNVPNLSDVFTINEVLKYLNADVSFVNDEVTVDATGEITSDAPFEYVRKMRASIVVMGPLLARTGSARVALPGGCAIGSRPVDLHLKGFEAMGAVVKIENGYIEATAE-KLVGAKVYLDFPSVGATQNIMMAATLAEGTTVIENVAREPEIVDLANFLNQMGARVIGAGTEVIRIEGVKELTATEHSIIPDRIEAGTFMIAAAITGGNVLIEDAVPEHISSLIAKLEEMGVQIIEEENGIRV-IGPDKLKAVDVKTMPHPGFPTDMQSQMMVIQMLSEGTSIMTETVFENRFMHVEEMRRMNADMKIEGHSVIISGPAKLQGAEVAATDLRAAAALILAGLVADGYTQVTELKYLDRGYNNFHGKLQALGADVERVDDSKVDVTNLASLF |
3SPB Chain:A ((1-416)) | MDKFRVQGPTRLQGEVTISGAKNAALPILFAALLAEEPVEI-QNVPKLKDIDTTMKLLTQLGTKVER-GS-VWIDASNVNNFSAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCAIGARPVDLHIFGLEKLGAEIKLEEGYVKASVNGRLKGAHIVMDKVSVGATVTIMSAATLAEGTTIIENAAREPEIVDTANFLVALGAKISGQGTDRITIEGVERLGGGVYRVLPDRIETGTFLVAAAISGGKIVCRNAQPDTLDAVLAKLREAGADIETGEDWISLDMHGKRPKAVTVRTAPHPAFPTDMQAQFTLLNLVAEGTGVITETIFENRFMHVPELIRMGAHAEIESNTVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERV-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SPB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -307751 for 3799 contacts (-81.0/contact) +
2D Compatibility (PS) -44799 + (NN) -12772 + (LL) 1236
1D Compatibility (HY) -37600 + (ID) 10400
Total energy: -412086.0 ( -108.47 by residue)
QMean score : 0.513
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