Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRKRARIIYNPTSGKELFKRELPDALIKLEKAGYETSAYATEKIGDATLEAERAMHENYDVLIAAGGDGTLNEVVNGIAEKPNRPKLGVIPMGTVNDFGRALHIPNDIMGALDVIIEGHSTKVDIGKMNNRYFINLAAGGQLTQVSYETPSKLKSIVGPFAYYIKGFEMLPQMKAVDLRIEYDGNVFQGEALLFFLGLTNSMAGFEKLVPDAKLDDGYFTLIIVEKSNLAELGHIMTLASRGEHTKHPKVIYEKAKAINISSFTDLQLNVDGEYGGKLPANFLNLERHIDVFAPNDIVNEELINNDHVDDNLIEE |
| 3S40 Chain:A ((7-290)) | --EKVLLIVNPKAGQGDLHTNLTKIVPPLAAAFPDLHILHTKEQGDATKYCQE-FASKVDLIIVFGGDGTVFECTNGLAPLEIRPTLAIIPGGTCNDFSRTLGVPQNIAEAAKLITKEHVKPVDVAKANGQHFLNFWGIG------------------KIGYYLSTI------ETFPVKITYDGQVYEDEAVLVMVGNGEYLGGIPSFIPNVKCDDGTLDIFVVKSTGIQAFKDYIG-KKLFEDSNENDIFHVKAKSIHIETEEEKEVDTD--SSLHTPCQIELLQGH--------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3S40.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -65321 for 2119 contacts (-30.8/contact) +
2D Compatibility (PS) -27245 + (NN) -5577 + (LL) 3948
1D Compatibility (HY) -8400 + (ID) 3050
Total energy: -105645.0 ( -49.86 by residue)
QMean score : 0.326
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