Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------------------------------------------------MSICDPALRNALRTLKLSGMLDTLDARLAQTRNGDLGHLEFLQALREDEIARRESAALTRRLRRAKFEAQATFEDFDFTANPKLPGAMLRDLAALRWLDAGESVILHGPVGVGKTHVAQALVHAVARRGGDVRFAKTSRMLSDLAGGHADRSWGQRIREYTKPLVLILDDFAMREHTAMHADDLYELISDRAITGKPLILTSNRAPNNWYGLFPNPVVAESLLDRLINTSHQILMDGPSYRPRKRPGRTTS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
3E1S Chain:A ((193-720)) | FTLTEVEGIGFLTADKLWDDPRRLTAAAVYALQLAGTQAGHSFLPRSRAEKGVVHYTRVTPGQARLAVETAVELGRLSEDDSPLFAAATGE-------GRIYLPHVLRAEKKLASLIRTLLATPPADAGNDDWAVPKKARKGLSEEQASVLDQLAGHRLVVLTGGPGTGKSTTTKAVADLAESLGLEVGLCAPT------------GKAARRLGEVTGRTASTVHRLLGYGPQGFRHNHLEPAPYDLLIVDEVSMM--------------GDALMLSLLAAVPPGARVLLVGDTDQLPPVDAGLPLLALAQAAPTIKLTQVYRQAAKNPIIQAAHGLLHGEAPAWGDKRLNLTEIEPDGGARRVALMVRELGGPGAVQVLTPMRKGPLGMDHLNYHLQALFNPGEGGVRIAEGEARPGDTVVQTKNDYNNEIFNGTLGMVLKAEGARLTVDFDGNVVELTGAELFNLQLGYALTVHRAQGSEWGTVLGVLHEAHMPMLSRNLVYTALTRARDRFFSAGSASAWQIAAARQREARNTALLERIRAHLEHHH |
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General information:
TITO was launched using:
| RESULT:
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Template: 3E1S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -34004 for 1576 contacts (-21.6/contact) +
2D Compatibility (PS) -23130 + (NN) -8498 + (LL) 1236
1D Compatibility (HY) 2400 + (ID) 1750
Total energy: -63746.0 ( -40.45 by residue)
QMean score : 0.318
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