Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRKRARIIYNPTSGKELFKRELPDALIKLEKAGYETSAYATEKIGDATLEAERAMHENYDVLIAAGGDGTLNEVVNGIAEKPNRPKLGVIPMGTVNDFGRALHIPNDIMGALDVIIEGHSTKVDIGKMNNRYFINLAAGGQLTQVSYETPSKLKSIVGPFAYYIKGFEMLPQMKAVDLRIEYDGNVFQGEALLFFLGLTNSMAGFEKLVPDAKLDDGYFTLIIVEKSNLAELGHIMTLASRGEHTKHPKVIYEKAKAINISSFTDLQLNVDGEYGGKLPANFLNLERHIDVFAPNDIVNEELINNDHVDDNLIEE |
| 3S40 Chain:A ((6-300)) | -FEKVLLIVNPKAGQGDLHTNLTKIVPPLAAAFPDLHILHTKEQGDATKYCQEFA-SKVDLIIVFGGDGTVFECTNGLAPLEIRPTLAIIPGGTCNDFSRTLGVPQNIAEAAKLITKEHVKPVDVAKANGQHFLNFWGIG------------------KIGYYLSTI------ETFPVKITYDGQVYEDEAVLVMVGNGEYLGGIPSFIPNVKCDDGTLDIFVVKSTGIQAFKDYIGKKLFEDS-NENDIFHVKAKSIHIETEEEKEVDTD--SSLHTPCQIELLQGHFTMIYNPAVV----------------- |
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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) -67011 for 2255 contacts (-29.7/contact) +
2D Compatibility (PS) -28228 + (NN) -6050 + (LL) 3176
1D Compatibility (HY) -6800 + (ID) 3050
Total energy: -107963.0 ( -47.88 by residue)
QMean score : 0.350
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