Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIDCAIIGGGPAGLSAGLYATRGGVKNAVLFEKGMPGGQITGSSEIENYPGVKEVVSGLDFMQPWQEQCFRFGLKHEMTAIQRVSKKGSHFVILAEDGKTFEAKSVIIATGGSPKRTGIKGESEYWGKGVSTCATCDGFFYKNKEVAVLGGGDTAVEEAIYLANICKKVYLIHRRDGFRCAPITLEHAKNNSKIEFLTPYVVEEIKGDASGVSSLSIKNTATNEKRELVVPGLFIFVGYDVNNAVLKQEDNSMLCECDEYGSIVVD-FSMKTNVQGLFAAGDIRIFAPKQVVCAASDGATAALSVISYLEHH |
2A87 Chain:B ((16-318)) | --DVIVIGSGPAGYTAALYAARAQLA-PLVFEGTSFGGALMTTTDVENYPGFRNGITGPELMDEMREQALRFGADLRMEDVESVSLHGPLKSVVTADGQTHRARAVILAMGAAARYLQVPGEQELLGRGVSSCATCDGFFFRDQDIAVIGGGDSAMEEATFLTRFARSVTLVHRRDEFRASKIMLDRARNNDKIRFLTNHTVVAVDGDTT-VTGLRVRDTNTGAETTLPVTGVFVAIGHEPRSGLVREA-----IDVDPDGYVLVQGRTTSTSLPGVFAAGDLVDRTYRQAVTAAGSGCAAAIDAERWLAEH |
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General information:
TITO was launched using:
| RESULT:
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Template: 2A87.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -211767 for 2686 contacts (-78.8/contact) +
2D Compatibility (PS) -31729 + (NN) -6446 + (LL) 360
1D Compatibility (HY) -20800 + (ID) 5750
Total energy: -276132.0 ( -102.80 by residue)
QMean score : 0.544
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