Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIDCAIIGGGPAGLSAGLYATRGGVKNAVLFEKGMPGGQITGSSEIENYPGVKEVVSGLDFMQPWQEQCFRFGLKHEMTAIQRVSKKGSHFVILAEDGKTFEAKSVIIATGGSPKRTGIKGESEYWGKGVSTCATCDGFFYKNKEVAVLGGGDTAVEEAIYLANICKKVYLIHRRDGFRCAPITLEHAKNNSKIEFLTPYVVEEIKGDASGVSSLSIKNTATNEKRELVVPGLFIFVGYDVNNAVLKQEDNSMLCECDEYGSIVVDFSMKTNVQGLFAAGDIRIFAPKQVVCAASDGATAALSVISYLEHH |
3ISH Chain:B ((1-311)) | MIDCAIIGGGPAGLSAGLYATRGGVKNAVLFEKGMPGGQITGSSEIENYPGVKEVVSGLDFMQPWQEQCFRFGLKHEMTAVQRVSKKDSHFVILAEDGKTFEAKSVIIATGGSPKRTGIKGESEYWGKGVSTCATCDGFFYKNKEVAVLGGGDTAVEEAIYLANICKKVYLIHRRDGFRCAPITLEHAKNNDKIEFLTPYVVEEIKGDASGVSSLSIKNTATNEKRELVVPGFFIFVGYDVNNAVLKQEDNSMLCKCDEYGSIVVDFSMKTNVQGLFAAGDIRIFAPKQVVCAASDGATAALSVISYLEHH |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ISH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -244386 for 2682 contacts (-91.1/contact) +
2D Compatibility (PS) -32951 + (NN) -9380 + (LL) 0
1D Compatibility (HY) -44000 + (ID) 15300
Total energy: -346017.0 ( -129.01 by residue)
QMean score : 0.590
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