Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDRMYEQNQMPHNNEAEQSVLGSIIIDPELINTTQEVLLPESFYRGAHQHIFRAMMHLNEDNKEIDVVTLMDQLSTEGTLNEAGGPQYLAELSTNVPTTRNVQYYTDIVSKHALKRRLIQTADSIANDGYNDELELDAILSDAERRILELSSSRESDGFKDIRDVLGQVYETAEELDQNSG--QTPGIPTGYRDLDQMTAGFNRNDLIILAARPSVGKTAFALNIAQKVATHEDMYTVGIFSLEMGADQLATRMICSSGNVDSNRLRTGTMTEEDWSRFTIAVGKLSRTKIFIDDTPGIRINDLRSKCRRLKQEHG-LDMIVIDYLQLIQGSGSRASDNRQQEVSEISRTLKALARELECPVIALSQLSRGVEQRQDKRPMMSDIRESGSIEQDADIVAFLYRDDYYNRGGDEDDDD----DGGFEP------QTNDE------NGEI---EIIIAKQRNGPTGTVKLHFMKQYNKFTDIDYAHADMM |
4A1F Chain:A ((2-317)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------RNIKEVLESAMDLITE-NQRKGSLEVTGIPTGFVQLDNYTSGFNKGSLVIIGARPSMGKTSLMMNMV--LSALNDDRGVAVFSLEMSAEQLALRALSDLTSINMHDLESGRLDDDQWENLAKCFDHLSQKKLFFYDKSYVRIEQIRLQLRKLKSQHKELGIAFIDYLQLM--SGSKATKERHEQIAEISRELKTLARELEIPIIALVQLNRSLENRDDKRPILSDIKDSGGIEQDADIVLFLYRGYIYQMRAEDNKIDKLKKEGKIEEAQELYLKVNEERRIHKQNGSIEEAEIIVAKNRNGATGTVYTRFNAPFTRYEDM-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4A1F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -124515 for 2254 contacts (-55.2/contact) +
2D Compatibility (PS) -31952 + (NN) -8449 + (LL) 11756
1D Compatibility (HY) -28400 + (ID) 6550
Total energy: -188110.0 ( -83.46 by residue)
QMean score : 0.477
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