Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRWLGVALGCSGLAIALACAGVLLAPADMAASSSSPSPARTVAALPAVDDRPPPPAPVRSQAAAPAYEAEPPVA--------ELDREQAIQFMQMLRDEGDPRSPPLGGLQPRQGATAQELADPKQYQAFEERQTRELVQAYTSGVQQIPEIRARIEAAEQGGERSAEEIDEARAALGQLEMMRDKLQRESPQLLPGDSAPTSPAAP |
3NAH Chain:A ((4-81)) | -------------------------------------RPSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSKDERVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQKPWTFKKACESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMYEMGKSMRPIYTAALKDELVKPDK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NAH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -1165 for 252 contacts (-4.6/contact) +
2D Compatibility (PS) -7636 + (NN) -13791 + (LL) 2604
1D Compatibility (HY) 800 + (ID) 1100
Total energy: -20288.0 ( -80.51 by residue)
QMean score : 0.334
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