Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCNDATLLNKITLFGVVQGVGMRPFVYILAQKLGLVGFVRNAQAALEIVLPAHKTESFLNALKKGLPPLALVEKIIISPYDKALHFNDFRILESKNHPLNLLSQIPKDLGVCEDCLCEIRDKNSPYFHYAFNSCAKCGARYSLLNAMPYDRENSALKPFKLCKFCASVYKDAHNKRFHIQGISCKKCGIALNYKRFKNDDALLECAKDIQKGKIIALKGLGGFALLCDARNFKTIERLRLLKNRPLKPFALMFKDLNAAKQHAFLNALECESLNSVSAPILLARKKPDTQLAPNIAKNSPFYGVILPYTPLHALLLDLLDSPIVFTSANFSSLPLASDEKEIDSLHFIFDFKLTHNRTIIHRIDDSIAQRVDNAIRPMRLVRGFAPLYLTLPKRSFNAPKKILALGAEQKGHFSLLDSETSVLLLSPFCGDLSVLENEKHFKETLNFFLKTYDFKPTLLACDEHQNYTTTKMAFDFNTPLLQVQHHHAHFLASVLDALLQDPHLNHPFIGIVWDGSGAYENKIYGAECFVGDLERIEEVARFEEFWLLGGQKAIKEPRRLVLEIALKHQLNKLLKRVQKHFKEDELGIFKQMHDKKIQSVATNSIGRLFDIVAFSLGVVGTISFEAESGQVLENLALQSDEIAFYPFEIKNSVVRLKEFYQAFEKDLGVLEPKRIAKKFFNSLVEIITALIAPFKGHVVVCSGGVFCNQLLCEQLAKRLKKLQREYFFHKHFPPNDSSIPVGQALMAYFNPTIIKKG |
1GXU Chain:A ((10-79)) | ---------QLRIRGKVQGVGFRPFVWQLAQQLNLHGDVCNDGDGVEVRL-REDPEVFLVQLYQHCPPLARIDSVEREPFIWSALPTEFTIR----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GXU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -79889 for 467 contacts (-171.1/contact) +
2D Compatibility (PS) -7693 + (NN) -3054 + (LL) 47740
1D Compatibility (HY) -5600 + (ID) 1450
Total energy: -49946.0 ( -106.95 by residue)
QMean score : 0.579
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