Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSALHAFPGGLCLPANKERSTALPIQQAPLAQRYIVPLGQHIGAPARPCVEVGQAVLKGQTIALPDGTVSAALHAPTSGTVVAIGAHPYPHASGLPAPAIVIASDGLERWTELHPCPDFRAESPLALLERIRAAGIGGLGGAGFPTAAKLAARPAEKIHTLVVNGAECEPYISADDLLMRERATQVLGGIDILVQILCPEEVLVGIEDDKPEAIAALGAALGERPYRIVALPTRYPSGGERQLIQLLTGREVPADGLPADIGILCQNVGTLAAVHDAVVLGRPLISRITTLAGGALERPMNVEALIGTPVHELLAFAGLAEGRLERVLMGGPMMGFALPDLSVPLIKTCNCLLAGDATELPEPVPAMPCIRCGDCAQVCPVSLLPQQLHFFALGDEHEQLLAHNLFDCIECGACAYVCPSSIPLVQYYRASKAEIREQRQKLLKAEQSRERFEQRQARLRRDEERRAAERAQRAEKAALARAAQAEREEAAPATAVDPVQAAIERARARKQAGSGSERLKRLKIEASMARVALKKAEKQLLSHDTPEQHGLVAELRAAAEAADKALADAEASLPRDLPSAPPAALDDEAELKKAKAQAAMARAQLKRSEKAFGEAPGAEQRATLDELRAEVERCEATLARLERHAPKPAAPGDDGQAALKRAKIALVGKRAALKKAEQAGVMDSELERLRGELQAAERDLHAAEDACGKPAPELVRIDKRPVDPRIRELKTELAYARAALKKLERLANADAAALAAARARLSAAERALTEHGTE |
1HFE Chain:M ((35-79)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CIGCDTCSQYCPTAAI-----FGEMGEPHS--IPH-IEACINCGQCLTHCPEN----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -33045 for 261 contacts (-126.6/contact) +
2D Compatibility (PS) -4556 + (NN) -2209 + (LL) 54904
1D Compatibility (HY) -4000 + (ID) 900
Total energy: 10194.0 ( 39.06 by residue)
QMean score : 0.459
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