Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAVGICGTDDHVVSGTMVTPLPVILGHEAAGIVESVGEGVTTVKPGDKVIPLAIPQCGKCRICKNPESNYCLKNDVSNPQGTLQDGTSRFTCRRKPIHHFLGISTFSQYTVVDENAVAKIDAASPLEKVCLIGCGFSTGYGSAVNVAKVTPGSTCAVFGLGGVGLSAIMGCKAAGAARIIAVDINKDKFAKAKELGATECINPQDYKKPIQEVLKEMTDGGVDFSFEVIGRLDTMMASLLCCHEACGTSVIVGVPPDSQNLSMNPMLLLTGRTWKGAILGGFKSKECVPKLVADFMAKKFSLDALITHVLPFEKINEGFDLLHSGKSIRTILMF |
1P0F Chain:A ((2-373)) | -CTAGKDITCKAAVAWEPHKPLSLETITVAPPKAHEVRIKILASGICGSDSSVLKEIIPSKFPVILGHEAVGVVESIGAGVTCVKPGDKVIPLFVPQCGSCRACKSSNSNFCEKNDMGAKTGLMADMTSRFTCRGKPIYNLMGTSTFTEYTVVADIAVAKIDPKAPLE-SCLIGCGFATGYGAAVNTAKVTPGSTCAVFGLGGVGFSAIVGCKAAGASRIIGVGTHKDKFPKAIELGATECLNPKDYDKPIYEVICEKTNGGVDYAVECAGRIETMMNALQSTYCGSGVTVVLGLASPNERLPLDPLLLLTGRSLKGSVFGGFKG-EEVSRLVDDYMKKKINVNFLVSTKLTLDQINKAFELLSSGQGVRSIMIY |
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General information:
TITO was launched using:
| RESULT:
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Template: 1P0F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -306795 for 3509 contacts (-87.4/contact) +
2D Compatibility (PS) -40105 + (NN) -9061 + (LL) 336
1D Compatibility (HY) -40000 + (ID) 11050
Total energy: -406675.0 ( -115.89 by residue)
QMean score : 0.738
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