Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLWPATLIGAGAGWALASIPGALLGGLLGQLLDRRLRLESWRGLLARLRGRAVNDEDDLLFQLLGYLAKSGGRVEEMHIRQAREEMALRKLDRRAQRRAIASFGKGKAGIAHLQAEVARLKGERAEAVLLACWRMAWAGGVLSQSARQLVLQWGRWLGWSAERTERLSARVMPKRTRAVARDSYREALLLLGVEAGSEPALIKRAYRKLISQHHPDKLAGAGASVERVRAATEKTRELQAAYALVREREGFR |
2CUG Chain:A ((16-74)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DFDPYRVLGVSRTASQADIKKAYKKLAREWHPDKNKDPG--------AEDRFIQISKAYEILSNEEKRT |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CUG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -13908 for 358 contacts (-38.8/contact) +
2D Compatibility (PS) -6545 + (NN) -3684 + (LL) 16200
1D Compatibility (HY) -2400 + (ID) 950
Total energy: -11287.0 ( -31.53 by residue)
QMean score : 0.811
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