Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MITGIINLKKEAGMTSHDAVFKLRKILHTKKIGHGGTLDPDVVGVLPIAVGKATRVIEYMTESGKIYEGEITLGYATSTEDSSGEVISRTPLTQSDLSEDVVDHAMKSFTGPITQVPPMYSAVKVNGKKLYEYARSGEEVERPKRQITISEFRRTSPLYFEKGICRFSFYVSCSKGTYVRTLAVDLGIKLGYASHMSFLKRTSSAGLSITQS-LTLEEINEKYKQ-------ED-FSFLLPIEYGVLDLPKVNLTEEDKVEISYGRRILLENEA---------DTLAA-FYENRVIAILEKRGNEFKPHKVLL |
2AUS Chain:C ((45-302)) | -QYGVINLDKPPGPTSHEVVAWIKRILNLEKAGHGGTLDPKVSGVLPVALERATRVVQALLPAGKEYVALMHLHG--------------------DVPEDKIRAVMKEFEGEIIQR-----------------------------TRKVYYIEILEID---G--RDVLFRVGVEAGTYIRSLIHHIGLALGVGAHMAELRRTRSGPFKEDETLVTLHDLVDYYHFWKEDGIEEYIRKAIQPMEKAVEHLPKIWIKDSAVAAVAHGANLTVPGIVKLNAGIKKGDLVAIMTLKDELVALGKAMMSTQEMIERSK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AUS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -137567 for 1780 contacts (-77.3/contact) +
2D Compatibility (PS) -23609 + (NN) -4459 + (LL) 2988
1D Compatibility (HY) -12400 + (ID) 3700
Total energy: -178747.0 ( -100.42 by residue)
QMean score : 0.420
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