Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRWLGVALGCSGLAIALACAGVLLAPADMAASSSSPSPARTVAALPAVDDRPPPPAPVRSQAAAPAYEAEPPVA--------ELDREQAIQFMQMLRDEGDPRSPPLGGLQPRQGATAQELADPKQYQAFEERQTRELVQAYTSGVQQIPEIRARIEAAEQGGERSAEEIDEARAALGQLEMMRDKLQRESPQLLPGDSAPTSPAAP |
3SFU Chain:A ((3-81)) | ------------------------------------PRPSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSKDERVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQKPWTFKKACESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMYEMGKSMRPIYTAALKDELVKPDK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SFU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -2867 for 260 contacts (-11.0/contact) +
2D Compatibility (PS) -7710 + (NN) -14916 + (LL) 2744
1D Compatibility (HY) 800 + (ID) 1150
Total energy: -23099.0 ( -88.84 by residue)
QMean score : 0.404
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