Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAYLDHAATTPMHPAAIEAMAAVQR---TIGN-ASSLHTSGRSARRRIEEARELIADKLGARPSEVIFTAGGTESDNLAVKGIYWARRDAEPHRRRIVTTEVEHHAVLDSVNWLVEHEGAHVTWLPTAADGSVSATALREALQSHDDVALVSVMWANNEVGTILPIAEMSVVAMEFGVPMHSDAIQAVGQLPLDFGASGLSAMSVAGHKFGGPPGVGALLLRRD--VTCVPLMHGGGQERDIRSGTPDVASAVGMATAAQIAVDGLEENSARLRLLRDRLVEGVLAEIDDVCLNGADDPMRLAGNA-HFTFRGCEGDALLMLLDANGIECSTGSACTAGVAQPSHVLIAMGVDAASARGSLRLSLGHTSVEADVDAALEVLPGAVARARRAALAAAGASR |
3LVK Chain:A ((25-400)) | --YLDYSATTPVDPRVAEKMMQFMTMDGTFGNPASRSHRFGWQAEEAVDIARNQIADLVGADPREIVFTSGATESDNLAIKG---AANFYQKKGKHIITSKTEHKAVLDTCRQL-EREGFEVTYLAPQRNGIIDLKELEAAMR--DDTILVSIMHVNNEIGVVQDIAAIGEMCRARGIIYHVDATQSVGKLPIDLSQLKVDLMSFSGHKIYGPKGIGALYVRRKPRVRIEAQMHGGGHERGMRSGTLPVHQIVGMGEAYRIAKEEMATEMERLRGLRNRLWNGI-KDIEEVYLNG--DLEHGAPNILNVSFNYVEGESLIMAL--KDLAVSSGSAC----LEPSYVLRALGLNDELAHSSIRFSLGRFTTEEEIDYTIELVRKSIGRLR----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LVK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -183977 for 3226 contacts (-57.0/contact) +
2D Compatibility (PS) -40877 + (NN) -23031 + (LL) 2580
1D Compatibility (HY) -27200 + (ID) 7800
Total energy: -280305.0 ( -86.89 by residue)
QMean score : 0.469
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