Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSALHAFPGGLCLPANKERSTALPIQQAPLAQRYIVPLGQHIGAPARPCVEVGQAVLKGQTIALPDGTVSAALHAPTSGTVVAIGAHPYPHASGLPAPAIVIASDGLERWTELHPCPDFRAESPLALLERIRAAGIGGLGGAGFPTAAKLAARPAEKIHTLVVNGAECEPYISADDLLMRERATQVLGGIDILVQILCPEEVLVGIEDDKPEAIAALGAALGERPYRIVALPTRYPSGGERQLIQLLTGREVPADGLPADIGILCQNVGTLAAVHDAVVLGRPLISRITTLAGGALERPMNVEALIGTPVHELLAFAGLAEGRLERVLMGGPMMGFALPDLSVPLIKTCNCLLAGDATELPEPVPAMPCIRCGDCAQVCPVSLLPQQLHFFALGDEHEQLLAHNLFDCIECGACAYVCPSSIPLVQYYRASKAEIREQRQKLLKAEQSRERFEQRQARLRRDEERRAAERAQRAEKAALARAAQAEREEAAPATAVDPVQAAIERARARKQAGSGSERLKRLKIEASMARVALKKAEKQLLSHDTPEQHGLVAELRAAAEAADKALADAEASLPRDLPSAPPAALDDEAELKKAKAQAAMARAQLKRSEKAFGEAPGAEQRATLDELRAEVERCEATLARLERHAPKPAAPGDDGQAALKRAKIALVGKRAALKKAEQAGVMDSELERLRGELQAAERDLHAAEDACGKPAPELVRIDKRPVDPRIRELKTELAYARAALKKLERLANADAAALAAARARLSAAERALTEHGTE |
1HFE Chain:L ((29-80)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QIDEAKCIGCDTCSQYCPTAAIFGEMGE--------PHSIPHIEACINCGQCLTHCPENA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1HFE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -37864 for 320 contacts (-118.3/contact) +
2D Compatibility (PS) -5097 + (NN) -1193 + (LL) 54496
1D Compatibility (HY) -2000 + (ID) 700
Total energy: 7642.0 ( 23.88 by residue)
QMean score : 0.266
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