Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASNPEEKSNDRQKALDNAISQIEKAFGKGAIMKLKQNPVEKIDTISTGSIALDSALGVGGLPKGRIVEIFGPESSGKTTLALHVIAEAQKKGGLCAFIDAEHALDVMYARKLGVNTDNLVISQPDTGEQALHIVEYLVCSSAVDVIVVDSVAALTPRAEIEGDMGDQHVGLQARLLSHGLRKLTSAVSKANCILIFINQIRMKIGVVYGNPETTTGGNALKFYTSVRLDIRKVGAIKDKESIKGNETRVKVVKNKVAPPFREAKFDIMYNEGVSKLGEIIDIGAKLGVLEKAGAYYSYNNTRLGQGRENVKNYFKANKEVANEVEAKIRDLLGNSDNSITMEEESRQLLEEAVF |
3CMW Chain:A ((329-656)) | ----------NKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGEIGDSHMGLAARMMSQAMRKLAGNLKQSNTLLIFINQIRMKIGVMFGNPETTTGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLLSNPNSAIDENKQKALAAALGQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CMW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157547 for 2604 contacts (-60.5/contact) +
2D Compatibility (PS) -36399 + (NN) -19575 + (LL) 268
1D Compatibility (HY) -34800 + (ID) 10350
Total energy: -258403.0 ( -99.23 by residue)
QMean score : 0.502
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