Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLQGKVAVVTGGSRGIGRDIAINLAKEGANIFFNYNGSPEAAEETAKLVAEHGVEVEAMKANVAIAEDVDAFFKQAIERFGRVDILVNNAGITRDNLLMRMKEDEWDDVININLKGTFLCTKAVSRTMMKQRAGKIINMASVVGLIGNAGQANYVASKAGVIGLTKTTARELAPRGINVNAVAPGFITTDMTDKLDEKTKEAMLAQIPLGAYGTTEDIANAVLFLASDASKYITGQTLSVDGGMVM
3RSH Chain:B ((8-250))
MNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTAT-SESGAQAISDYLGDNG---KGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVGSVVGTMGNAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTK-LNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMYM
General information:
TITO was launched using:
RESULT:
Template:
3RSH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108247 for 2108 contacts (-51.4/contact) +
2D Compatibility (PS) -25644 + (NN) -2602 + (LL) 380
1D Compatibility (HY) -22400 + (ID) 6800
Total energy: -165313.0 ( -78.42 by residue)
QMean score : 0.559
(partial model without unconserved sides chains):
PDB file :
Tito_3RSH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RSH-query.scw
PDB file :
Tito_Scwrl_3RSH.pdb
: