Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNLLLSPLAVGNLALRNRIVMAPMTRSRAQQPGDVPTALNALYYAQRAGAGLIVSEGTQISHLGQGYAYTPGIYSEAQLAGWRQVTEAVHAAGGLIAAQLWHVGRMSHRSLQAGGEAPIAPSPIQAK-AQVFIADGQGGGSMAPADAPREMTLEDIRRVRDEFVRAARNALDAGFDLVELHGANGYLIDQFLASASNRRSDAYGGSLENRARFLLEIVDALVAAVGAERVGLRLSPWGTINDMHDDEPEAMTLYLAEALQRRGIAYLHLAEWEWSGGPAYPQGFRERLRERFRAPLIVCGNYDAERAEAILQAGLADAVAIGRPFIANPDLVERIRLGAPLAEANQARFYGGDAAGYTDYPTLGQSATA |
4AWU Chain:A ((2-362)) | -TQSLFQPITLGALTLKNRIVMPPLTRSRASQPGDVANHMMAIYYAQRASAGLIVSEGTQISPTAKGYAWTPGIYTPEQIAGWRIVTEAVHAKGCAIFAQLWHVGRVTHPD-NIDGQQPISSSTLKAENVKVFVDNGSDEPGFVDVAVPRAMTKADIAQVIADYRQAALNAMEAGFDGIELHAANGYLINQFIDSEANNRSDEYGGSLENRLRFLDEVVAALVDAIGAERVGVRLAPLTTLNGTVDADPILTYTAAAALLNKHRIVYLHIAEVDWDDAPDTPVSFKRALREAYQGVLIYAGRYNAEKAEQAINDGLADMIGFGRPFIANPDLPERLRHGYPLAEHVPATLFGGGEKGLTDYPT------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AWU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -198039 for 3386 contacts (-58.5/contact) +
2D Compatibility (PS) -39364 + (NN) -20832 + (LL) 820
1D Compatibility (HY) -30000 + (ID) 9700
Total energy: -297115.0 ( -87.75 by residue)
QMean score : 0.519
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