Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRYTKSEEAMKVAETLMPGGVNSPVRAFKSVDTPAIFMDHGKGSKIYDIDGNEYIDYVLSWGPLILGHRDPQVISHLHEAIDKGTSFGASTLLENK----LAQLVIDRVPSIEKVRMVSSGTEATLDTLRLARGYTGRN-----KIVKFEGCYHGHSDSLLIKAGSGVATLGLPDSPGVPEGIAKNTITVPYNDLDALKIAFEKFGDDIAGVIVEPVAGNMGVVPPIEGFLQGLRDITTEYGALLIFDEVMTGF-RVGYHCAQGYFGVTPDLTCLGKVIGGGLPVGAFGGKKEIMDHIAPLGNIYQAG----TLSGNPLAMTSGYETLSQLTPETY-EYFNMLGDILEDGLKRVFAKHNVPITVNRAGSMIGYFLNEGPVTNFEQANKSDLKLFAEMYREMAKEGVFLPPSQFEGTFLSTAHTKEDIEKTIQAFDTALSRIVK |
2E54 Chain:A ((11-343)) | ---------------------------------PATFV-YGKGSWIYDEKGNAYLDFTSGIAVNVLGHSHPRLVEAIKDQAEK--LIHCSNLFWNRPQMELAEL-LSKNTFGGKVFFANTGTEANEAAIKIARKYGKKKSEKKYRILSAHNSFHGRT------LGSLTAT-GQPKYQKPFEPLVPGFEYFEFNNVEDLR---RKMSEDVCAVFLEPIQGESGIVPATKEFLEEARKLCDEYDALLVFDEVQCGMGRTGKLFAYQKYGVVPDVLTTAKGLGGGVPIGAV-----IVNERA---NVLEPGDHGTTFGGNPLACRAGVTVIKELTKEGFLEEVEEKGNYLMKKLQEMKEEYDVVADVRGMGLMIGIQFRE-EVSNREVATKC------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2E54.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -147199 for 2616 contacts (-56.3/contact) +
2D Compatibility (PS) -34896 + (NN) -19168 + (LL) 7484
1D Compatibility (HY) -18800 + (ID) 5600
Total energy: -218179.0 ( -83.40 by residue)
QMean score : 0.475
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