Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSALHAFPGGLCLPANKERSTALPIQQAPLAQRYIVPLGQHIGAPARPCVEVGQAVLKGQTIALPDGTVSAALHAPTSGTVVAIGAHPYPHASGLPAPAIVIASDGLERWTELHPCPDFRAESPLALLERIRAAGIGGLGGAGFPTAAKLAARPAEKIHTLVVNGAECEPYISADDLLMRERATQVLGGIDILVQILCPEEVLVGIEDDKPEAIAALGAALGERPYRIVALPTRYPSGGERQLIQLLTGREVPADGLPADIGILCQNVGTLAAVHDAVVLGRPLISRITTLAGGALERPMNVEALIGTPVHELLAFAGLAEGRLERVLMGGPMMGFALPDLSVPLIKTCNCLLAGDATELPEPVPAMPCIRCGDCAQVCPVSLLPQQLHFFALGDEHEQLLAHNLFDCIECGACAYVCPSSIPLVQYYRASKAEIREQRQKLLKAEQSRERFEQRQARLRRDEERRAAERAQRAEKAALARAAQAEREEAAPATAVDPVQAAIERARARKQAGSGSERLKRLKIEASMARVALKKAEKQLLSHDTPEQHGLVAELRAAAEAADKALADAEASLPRDLPSAPPAALDDEAELKKAKAQAAMARAQLKRSEKAFGEAPGAEQRATLDELRAEVERCEATLARLERHAPKPAAPGDDGQAALKRAKIALVGKRAALKKAEQAGVMDSELERLRGELQAAERDLHAAEDACGKPAPELVRIDKRPVDPRIRELKTELAYARAALKKLERLANADAAALAAARARLSAAERALTEHGTE |
1DUR Chain:A ((8-51)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CIACGACKPECPVNCI-QEGSIYAIDAD----------SCIDCGSCASVCPVGAP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1DUR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -36023 for 255 contacts (-141.3/contact) +
2D Compatibility (PS) -4597 + (NN) -3102 + (LL) 55200
1D Compatibility (HY) -5200 + (ID) 1000
Total energy: 5278.0 ( 20.70 by residue)
QMean score : 0.455
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