Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGLCGCIRGKPMTQETVGFAALGIHPNVLAAIVAVGYEEPSPIQAQSIPLILEGHDMIGQAQTGTGKTAAFALPLLSRIDPSR---REPQMLVLVPTRELALQVATACETYSKQLPGVGVVAVYGGAPMGPQLKALRQGAQILVATPGRLCDHLRRDEKLLATVQRLVLDEADEMLKLGFMDDLEVIFEALPESRQTVLFSATLPASIRGIAERHLKQPKHVKIAAKTQTVARIEQVHLMVHADQKAGSIQRLLEVEQFDALIAFVRTKQATLDYAELLERQGYRAAALNGDMPQAQRERVIESLKDGSLDIVIATDVAARGLDVPRITHVLNIDMPYDPESYVHRIGRTGRAGREGRALLLVTPRERRMLQVIERVTGQKVGEVRLPDAETVLEARLARLAASLTPLLDSAVEQRGAVRDELCRRLGCDAETLAAALLARLTAGKALDLESVRREQPLTPSAPRERADRGERGERPERSGERRPMAPPSEGRARCRTALGARDGVAAKNLLGAILNEGGLSREDIGRIQIRDTFSLIELPEANLERLLTKLKDTRVAGKALRLRRYRED |
3NBF Chain:B ((3-205)) | ------------------FKDFPLKPEILEALHGRGLTTPTPIEAAALPLALEGKDLIGQARTGTGKTLAFALPIAERLAPSQERGRKPRALVLTPTRELALQVASELTAVA---PHLKVVAVYGGTGYGKQKEALLRGADAVVATPGRALDYLRQGVLDLSRVEVAVLDEADEMLSMGFEEEVEALLSATPPSRQTLLFSATLPSWAKRLAERYMKNPVLINV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NBF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154157 for 1736 contacts (-88.8/contact) +
2D Compatibility (PS) -21935 + (NN) -10711 + (LL) 27552
1D Compatibility (HY) -16000 + (ID) 5150
Total energy: -180401.0 ( -103.92 by residue)
QMean score : 0.582
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