Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKTWIYAASAAAIGGALIGGWLLDPAPPEASPQARQSPAAQAAAAPTAALAAPAADATRMLAPTPVTTPAPRERVTLWQGELRSREGAQGIPEYLAQVEPALLDTLALGQVLE-MSLPGRERPLQARLASTHNSAGLPVWRGGLVDGDEAESLTVVRGSLETHINVATLDGSYSIIVDNRSGKTRVIDENDIAARSDPHGDHVDAPLAELPPMPPPAQG |
1HIV Chain:A ((2-44)) | --------------------------------------------------------------------------QVTLWQRPLVTIKIG-------GQLKEALLDTGADDTVLEEMSLPGRWKP------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1HIV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 1316 for 155 contacts (8.5/contact) +
2D Compatibility (PS) -3919 + (NN) 3468 + (LL) 9268
1D Compatibility (HY) -3600 + (ID) 1150
Total energy: 5383.0 ( 34.73 by residue)
QMean score : -0.029
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