Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSELSVATGAVSTASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFA--IDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVARQ |
4GRH Chain:A ((189-449)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DAPQRFTDGVRRVIEYLRAGDVFQVNLSRRWNAQFAAPVSPQALYAQLRRANPAPFAGLFSAHGRHVVSSSPERLVSVHA-GHAQTRPIAGTRPRFEGD--D------------ERAEHVMLIDLERNDLGRICLPGTVVVDELMTVESYAHVHHIVSNVSGHLRPEVTPGEVIAATFPGGTITGCPKVRCMQIISELEQVPRGAYTGAFGWLNRDGDLDLNILIRTAEVDGHEVSFRTGAGIVVDSDPDKELDETRAKARGL-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4GRH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -89136 for 1966 contacts (-45.3/contact) +
2D Compatibility (PS) -26010 + (NN) -9843 + (LL) 15264
1D Compatibility (HY) -6400 + (ID) 4100
Total energy: -120225.0 ( -61.15 by residue)
QMean score : 0.289
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