Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGLCGCIRGKPMTQETVGFAALGIHPNVLAAIVAVGYEEPSPIQAQSIPLILEGHDMIGQAQTGTGKTAAFALPLLSRIDPSR---REPQMLVLVPTRELALQVATACETYSKQLPGVGVVAVYGGAPMGPQLKALRQGAQILVATPGRLCDHLRRDEKLLATVQRLVLDEADEMLKLGFMDDLEVIFEALPESRQTVLFSATLPASIRGIAERHLKQPKHVKIAAKTQTVARIEQVHLMVHADQKAGSIQRLLEVEQFDALIAFVRTKQATLDYAELLERQGYRAAALNGDMPQAQRERVIESLKDGSLDIVIATDVAARGLDVPRITHVLNIDMPYDPESYVHRIGRTGRAGREGRALLLVTPRERRMLQVIERVTGQKVGEVRLPDAETVLEARLARLAASLTPLLDSAVEQRGAVRDELCRRLGCDAETLAAALLARLTAGKALDLESVRREQPLTPSAPRERADRGERGERPERSGERRPMAPPSEGRARCRTALGARDGVAAKNLLGAILNEGGLSREDIGRIQIRDTFSLIELPEANLERLLTKLKDTRVAGKALRLRRYRED |
3MWK Chain:B ((3-205)) | ------------------FKDFPLKPEILEALHGRGLTTPTPIEAAALPLALEGKDLIGQARTGTGKTLAFALPIAERLAPSQERGRKPRALVLTPTRELALQVASELTAVA---PHLKVVAVYGGTGYGKQKEALLRGADAVVATPGRALDYLRQGVLDLSRVEVAVLDEADEMLSMGFEEEVEALLSATPPSRQTLLFSATLPSWAKRLAERYMKNPVLINV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MWK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164723 for 1722 contacts (-95.7/contact) +
2D Compatibility (PS) -21907 + (NN) -11799 + (LL) 27552
1D Compatibility (HY) -16000 + (ID) 5150
Total energy: -192027.0 ( -111.51 by residue)
QMean score : 0.578
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