Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASNPEEKSNDRQKALDNAISQIEKAFGKGAIMKLKQNPVEKIDTISTGSIALDSALGVGGLPKGRIVEIFGPESSGKTTLALHVIAEAQKKGGLCAFIDAEHALDVMYARKLGVNTDNLVISQPDTGEQALHIVEYLVCSSAVDVIVVDSVAALTPRAEIEGDMGDQHVGLQARLLSHGLRKLTSAVSKANCILIFINQIRMKIGVVYGNPETTTGGNALKFYTSVRLDIRKVGAIKDKESIKGNETRVKVVKNKVAPPFREAKFDIMYNEGVSKLGEIIDIGAKLGVLEKAGAYYSYNNTRLGQGRENVKNYFKANKEVANEVEAKIRDLLGNSDNSITMEEESRQLLEEAVF |
2OEP Chain:A ((6-330)) | ---------PDREKALELAMAQIDKNFGKGSVMRLGEEVRQPISVIPTGSISLDVALGIGGLPRGRVIEIYGPESSGKTTVALHAVANAQAAGGIAAFIDAEHALDPEYAKKLGVDTDSLLVSQPDTGEQALEIADMLVRSGALDIIVIDSVAALVPRAEIEGEMGDSHVGLQARLMSQALRKMTGALNNSGTTAIFINQL-EKIGVMFGSPETTTGGKALKFYASVRLDVRRIETLKDGTDAVGNRTRVKVVKNKVSPPFKQAEFDILYGQGISREGSLIDMGVEHGFIRKSGSWFTYEGEQLGQGKENARKFLLENTDVANEIEKKIKEKLG--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OEP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -149506 for 2636 contacts (-56.7/contact) +
2D Compatibility (PS) -35023 + (NN) -12973 + (LL) 2152
1D Compatibility (HY) -30800 + (ID) 9700
Total energy: -235850.0 ( -89.47 by residue)
QMean score : 0.466
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