Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVRDIDKTTSLHLNNEAQFLCFRLDAEKDAQLYGMNIFKIREIIHYDGEVTEILGGSDGVMLGFLSVRGESIPLVDVKRWLHYNANDPSRDLKECSVKDDHNLVIVCHFSNHSIALKVLKIERIIHKNWTEISAGDKQGINEEGKLSAITRFDEQRVVQILDVEKMISDVFPSLKDLDDLTLRCIEAIQSQKLILIAEDSLSALKTLEKIVQTLELRYLAFPNGRELLDYLYEKEHYQQVGVVITDLEMPVISGFEVLKTIKADSRTEHLPVIINSSMSSDSNRQLAQSLEADGFVVKS-NILEIHEMLKKTLS |
3A0U Chain:A ((33-115)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NGEEALKKFFSGNY----DLVILDIEMPGISGLEVAGEIR--KKKKDAKIILLTAYS--HYRSDLSSWAADEYVVKSFNFDELKEKVKKLL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A0U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -35104 for 570 contacts (-61.6/contact) +
2D Compatibility (PS) -8790 + (NN) -4797 + (LL) 17844
1D Compatibility (HY) -6400 + (ID) 1600
Total energy: -38847.0 ( -68.15 by residue)
QMean score : 0.689
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