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:O ((3-407)) | -LVVQKYGGSSLESAERIRNVAERIVATKKAGNDVVVVCSAMGDTTDELLELAAAVNPVPPAREMDMLLTAGERISNALVAMAIESLGAEAQSFTGSQAGVLT------------TPGRVREALDEGKICIVAGFQ-----------GRGGSDTTAVALAAALNADVCEIYSDVDGVYTADPRIVPNAQKLEKLSFEEMLELAAVGSKILVLRSVEYARAFNVPLRVRSSYSNDPGTLIAGSMEDIP---VEEAVLTGVATDKSEAKVTVLGISDKPGEAAKVFRALADAEINIDMVLQNVSSVEDGTTDITFTCPRSDGRRAMEILKKLQVQGNWTNVLYDDQVGKVSLVGAGMKSHPGVTAEFMEALRDVNVNIELISTSEIRISVLIREDDLDAAARALHEQFQLGG |
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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) -241220 for 3177 contacts (-75.9/contact) +
2D Compatibility (PS) -42185 + (NN) -20942 + (LL) 1720
1D Compatibility (HY) -34000 + (ID) 9150
Total energy: -345777.0 ( -108.84 by residue)
QMean score : 0.542
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