Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKLIQFLFIAVVLFLVEYVLINQAAILFLVTSGIIQLCGVIIAIRLLLFDQRNTSSKVAWVAVIFILPVLGTISYLVFGRNPATRKFSTAQVKEKTKLINAIHAIPNNTNEKLPRLSKRIAHLTSIEPIKGNKIEILTNGEETFPVLLDALRKAENHIHIQYYIFKTDAISTEIRDILVEKAKSGVEVRFMFDGLGSSKLGKAFLAPLKEAGVSIHAFDPIASPWIVRTANLRNHRKIVVIDGQIGFTGGLNIGEEYRSNTPDFRVWRDTHIKITGQAVIELQESFLNDWVYMENQAGAADGFISESGSKQYFSPVDMGDEWAQVIYGGPYDKEKWVRDSMLDLIDSAKESVWIVSPYFVPDE--ESLAVIRRVAMSGVDVRVIIPGKGDRGISFHGSNAYVKTMIEAGAKMYAYADDSFVHAKAMLVDGT---RAAIGTANFDVRSFRLNHELMVFLYDESEAMH---HLKRDFKKDFEDSRLFTMKDMENKPLLTRIKEVLSSLLSPIL |
2C1L Chain:A ((21-165)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GMLENVWVSNHTPGEGTLYLISGFSNYNGGVRFYETFTEHINQGGRVIAILGGSTSQRLS---SRQVVEELLNRGVEVHIINRKRILHAKLYGTSNNLGESLVVSSGNFTGPGMSQNIEASLLLDNNT-TQSMGFSWNDMISEMLNQNW---------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C1L.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -72660 for 1018 contacts (-71.4/contact) +
2D Compatibility (PS) -14931 + (NN) -7018 + (LL) 28472
1D Compatibility (HY) -6000 + (ID) 850
Total energy: -72987.0 ( -71.70 by residue)
QMean score : 0.423
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