Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRAFLNRSFAPLLNPNENLLDQVKSSIILKKGVSYFDWGASGLASALVEKRVKSLLPYYANAHSVASKHAILMGMLLKECQEKLKRSLNLSANHCVLSAGYGASSAIKKFQEILGVCIPSKTKKNLEPYLKDMALKRVIVGPYEHHSNEVSWREGLC-----EVVRIPLNEHGLLDLEILEQTLKKTPNSLVSVSAASNVTGILTPLKEVSSLCKEYRAILALDLANFSAH----ANPKDCEYQTGFYAPHKLLGGVGGCGLLGISKDLIDTQIPPSFSAGGVIKYANRTRHEFIDELPLREEFGTPGLLQFYRSALAYQLRDECGLDFIHKKENNLLRVLVYGLKDLPAINIYGNLTASRVGVVAFNIGGISPYDLARVLSYEYAIETRAGCSCAGPYGHDLLNLNAQKSSDFNAKPGWLRVSLHFTHSINDIDYLLDSLKKAVKKLR |
1I29 Chain:A ((116-400)) | -----------------------------------------------------------------------------------------------------------------------------------------IIISQMEHHANIVPWQM-LCARVGAELRVIPLNPDGTLQLETLP-TLFDEKTRLLAITHVSNVLGTENPLAEMITLAHQHGAKVLVDGAQAVMHHPVDVQALDCDFYV--FSGHKLYGPTG-IGILYVKEALLQ-EMPPWEGGGSMIATVSLSEGTTWTKAPWRFEAGTPNTGGIIGLGAALEYVSALGLNNIAEYEQNLMHYALSQLESVPDLTLYG--PQNRLGVIAFNLGKHHAYDVGSFLD-NYGIAVRTGHHCAMPL-----------MAYYNV-PAMCRASLAMYNTHEEVDRLVTGLQRIHRLLG |
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General information:
TITO was launched using:
| RESULT:
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Template: 1I29.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155172 for 2048 contacts (-75.8/contact) +
2D Compatibility (PS) -29352 + (NN) -9911 + (LL) 10456
1D Compatibility (HY) -20400 + (ID) 4500
Total energy: -208879.0 ( -101.99 by residue)
QMean score : 0.383
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