Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLIVQKYGGTSMGSIERIHNVAQRVLESVKLGHQVVVVVSAMSGETDRLLEFGKNFSHNPNKREMDRIVSAGEWISSAALSMALERYGHRAISLSGKEAGILTSSHFQNAVIQSIDTQRITELLEKNYIVVIAGFQGADIQGETTTLGRGGSDLSAVALAGALKAHLCEIYTDVDGVYTTDPRIEEKAQKIAQISYDEMLELASMGAKVLLNRSVELAKKLSVKLVTRNSFNHSEGTLIVAE-KDFKGERMETPIVSGIALDKNQARVSMEGVEDRPGIAAEIFGALAEYRINVDMIVQTIG--RDGKTDLDFTIVKTQIEETKQALKPFLAQMD--SIDYDENIAKVSIVGVGMKSHSGVASIAFKALAKDNINIMMISTSEIKISVLIDIKYAELAVRTLHAVYQLDQ |
3AB2 Chain:E ((3-407)) | -LVVQKYGGSSLESAERIRNVAERIVATKKAGNDVVVVCSAMGDTTDELLELAAAVNPVPPAREMDMLLTAGERISNALVAMAIESLGAEAQSFTGSQAGVLT-----------VTPGRVREALDEGKICIVAGFQ------------RGGSDTTAVALAAALNADVCEIYSDVDGVYTADPRIVPNAQKLEKLSFEEMLELAAVGSKILVLRSVEYARAFNVPLRVRSSYSNDPGTLIAGSMEDIP---VEEAVLTGVATDKSEAKVTVLGISDKPGEAAKVFRALADAEINIDMVLQNVSSVEDGTTDITFTCPRSDGRRAMEILKKLQVQGNWTNVLYDDQVGKVSLVGAGMKSHPGVTAEFMEALRDVNVNIELISTSEIRISVLIREDDLDAAARALHEQFQLG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AB2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -261181 for 3147 contacts (-83.0/contact) +
2D Compatibility (PS) -41414 + (NN) -18189 + (LL) 1268
1D Compatibility (HY) -34400 + (ID) 9100
Total energy: -363016.0 ( -115.35 by residue)
QMean score : 0.549
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