Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFDCLIIFIIVVCIIISITRGFIKELCALMFLFLSAFLTANHYDFFTINYSKYFNSKAMQNIFSTISVFIIFNLIFMIVNNWLMYILTPIRLGLIDRVTGTFVGALRGVLLSYVLFFAMHLYCYTVHDKKEEQSKIEAEDILPNWIINSYSYQALFATVEDIVDVYVPESLILKIKEIGEGMANQEKLKGDKKEE |
1KUP Chain:B ((1-25)) | -------------------------------------------------------------------------------------------------------------------------KLLITIHDRKE-FAKFEEERARAKWD------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KUP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 2333 for 122 contacts (19.1/contact) +
2D Compatibility (PS) -2371 + (NN) 373 + (LL) 16440
1D Compatibility (HY) -800 + (ID) 450
Total energy: 15525.0 ( 127.25 by residue)
QMean score : -0.175
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