Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGIAVLGGAGYIGSHAVDELIT-RGYEVVVIDNLRTGH--------RESIHKK---------------AKFYEGDIRDKAFLSSVFEKE-KVDGVIHFAASSLVGESMEVPLDYLNNNVYGTQIVLEVMEEFDVKHIVFSSSAATYGEP-ERVPITEDMPTNPESTYGETKLIMEKMMKWCDKAYGMKFVALRYFNVAGAKADGSIGEDHKPESHLVPIIL-----QVALGQR-EKLAIYGDDYNTPDGTCIRDYVQVEDLIDAHIRALEYLKNGGESN------IFNLGSSNGFSVKEMLEAARTVTGKEIPAEVVPRRAGDPGTLIASSDKAREILGWEPTYTDVKDIIATAWKWHVSHPNGY |
2CNB Chain:A ((3-382)) | MRVLVCGGAGYIGSHFVRALLRDTNHSVVIVDSLVGTHGKSDHVETRENVARKLQQSDGPKPPWADRYAALEVGDVRNEDFLNGVFTRHGPIDAVVHMCAFLAVGESVRDPLKYYDNNVVGILRLLQAMLLHKCDKIIFSSSAAIFGNPTNAEPIDINAKKSPESPYGESKLIAERMIRDCAEAYGIKGICLRYFNACGAHEDGDIGEHYQGSTHLIPIILGRVMSDIAPD--DKRMPIFGTDYPTPDGTCVRDYVHVCDLASAHILALDYVEKLGPNDKSKYFSVFNLGTSRGYSVREVIEVARKTTGHPIPVRECGRREGDPAYLVAASDKAREVLGWKPKYDTLEAIMETSWKFQRTHPNGY |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CNB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -184183 for 2770 contacts (-66.5/contact) +
2D Compatibility (PS) -35629 + (NN) -19840 + (LL) 220
1D Compatibility (HY) -30800 + (ID) 7950
Total energy: -278182.0 ( -100.43 by residue)
QMean score : 0.607
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