Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCNDATLLNKITLFGVVQGVGMRPFVYILAQKLGLVGFVRNAQAALEIVLPAHKTESFLNALKKGLPPLALVEKIIISPYDKALHFNDFRILESKNHPLNLLSQIPKDLGVCEDCLCEIRDKNSPYFHYAFNSCAKCGARYSLLNAMPYDRENSALKPFKLCKFCASVYKDAHNKRFHIQGISCKKCGIALNYKRFKNDDALLECAKDIQKGKIIALKGLGGFALLCDARNFKTIERLRLLKNRPLKPFALMFKDLNAAKQHAFLNALECESLNSVSAPILLARKKPDTQLAPNIAKNSPFYGVILPYTPLHALLLDLLDSPIVFTSANFSSLPLASDEKEIDSLHFIFDFKLTHNRTIIHRIDDSIAQRVDNAIRPMRLVRGFAPLYLTLPKRSFNAPKKILALGAEQKGHFSLLDSETSVLLLSPFCGDLSVLENEKHFKETLNFFLKTYDFKPTLLACDEHQNYTTTKMAFDFNTPLLQVQHHHAHFLASVLDALLQDPHLNHPFIGIVWDGSGAYENKIYGAECFVGDLERIEEVARFEEFWLLGGQKAIKEPRRLVLEIALKHQLNKLLKRVQKHFKEDELGIFKQMHDKKIQSVATNSIGRLFDIVAFSLGVVGTISFEAESGQVLENLALQSDEIAFYPFEIKNSVVRLKEFYQAFEKDLGVLEPKRIAKKFFNSLVEIITALIAPFKGHVVVCSGGVFCNQLLCEQLAKRLKKLQREYFFHKHFPPNDSSIPVGQALMAYFNPTIIKKG |
1GXU Chain:A ((4-91)) | ---NTSCGVQLRIRGKVQGVGFRPFVWQLAQQLNLHGDVCNDGDGVEVRLRE-DPEVFLVQLYQHCPPLARIDSVEREPFIWSALPTEFTIR----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -93429 for 625 contacts (-149.5/contact) +
2D Compatibility (PS) -9368 + (NN) -258 + (LL) 47364
1D Compatibility (HY) -5200 + (ID) 1550
Total energy: -62441.0 ( -99.91 by residue)
QMean score : 0.485
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