Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKNQNRIRNRWELITCGLGGHVTYAPDDAALAARLRASTGLGEVWRCLRCGDFALGGPQGRGAPEDAPLIMRGKALRQAIIIRALGVERLVRALVLALAAWAVWEFRGARGAIQATLDRDLPVLR-AAGFKVDQMTVIHALEKALAAKPSTLALITGMLAAYAVLQAVEGVGLWLLKRWGEYFAVVATSIFLPLEVHDLAKGITTTRVVTFSINVAAVVYLLISKRLFGVRGGRKAYDVERRGEQLLDLERAAMLT |
5GAP Chain:J ((316-395)) | --------------------------------------------------------------------------------------------------LESTTVNKYRVVRKALQE-IPRDEGLWKLAVSFEADKAQVIKMLEKATQFIPQSMDLLT----AYTNLQS----------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5GAP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -21416 for 387 contacts (-55.3/contact) +
2D Compatibility (PS) -7034 + (NN) -4825 + (LL) 15500
1D Compatibility (HY) -3600 + (ID) 1200
Total energy: -22575.0 ( -58.33 by residue)
QMean score : 0.405
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