Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | --MRKRARIIYNPTSGKELFKRELPDALIKLEKAGYETSAYATEKIGDATLEAERAMHENYDVLIAAGGDGTLNEVVNGIAEKPNRPKLGVIPMGTVNDFGRALHIPNDIMGALDVIIEGHSTKVDIGKMNNRYFINLAAGGQLTQVSYETPSKLKSIVGPFAYYIKGFEMLPQMKAVDLRIEYDGNVFQGEALLFF-LGLTNSMAGFEKLVPDAKLDDGYFTLIIVEKSNLAELGHIMTLASRGEHTKHPKVIYEKAKAINISSFTDLQLNVDGEYGGKLPANFLNLERHID-VFAPNDIVNEELINNDHVDDNLIEE |
| 3S40 Chain:A ((3-300)) | KTKFEKVLLIVNPKAGQGDLHTNLTKIVPPLAAAFPDLHILHTKEQGDATKYCQEFA-SKVDLIIVFGGDGTVFECTNGLAPLEIRPTLAIIPGGTCNDFSRTLGVPQNIAEAAKLITKEHVKPVDVAKANGQHFLN------------------FWGIGKIGYYLST------IETFPVKITYDGQVYEDE-AVLVMVGNGEYLGGIPSFIPNVKCDDGTLDIFVVKSTGIQAFKDYIG-KKLFEDSNENDIFHVKAKSIHIETEEEKEVDTDSSLHT--PCQIELLQGHFTMIYNPAVV------------------ |
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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) -53583 for 2218 contacts (-24.2/contact) +
2D Compatibility (PS) -28375 + (NN) -6684 + (LL) 3252
1D Compatibility (HY) -5200 + (ID) 3000
Total energy: -93590.0 ( -42.20 by residue)
QMean score : 0.356
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