Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKVALVTGSSRGLGREIAIALAKEGYDIAVNFSRNRKKAEEVQQEIEQLGRKCVIFKANVGDVEKVRELFKAVDEEFGRLDIFINNAASGVLRP--LMELEESHWDWTMNINAKALLFAGQEAAKLMQRHQSGKIISLSSIGSIRYLENYTTVGVSKAAVESLTRYLAVELAPFGIAVNAVSGGLIETDALNHFPNREELLKDAV-SKTPAGRMIEPNDLVNAVLFLASEKADMIRGQTILVDGGRTLLV
4JRO Chain:A ((30-271))
--KVAVVTGGSRGIGRDIAINLAKEGANIFFNYNGSPEAAEETAKLVAEHGVEVEAMKANVAIAEDVDAFFKQAIERFGRVDILVNNA--GITRDNLLMRMKEDEWDDVININLKGTFLCTKAVSRTMMKQRAGKIINMASVVGLIGNAGQANYVASKAGVIGLTKTTARELAPRGINVNAVAPGFITTDMTDKL---DEKTKEAMLAQIPLGAYGTTEDIANAVLFLASDASKYITGQTLSVDGGMVM--
General information:
TITO was launched using:
RESULT:
Template:
4JRO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105042 for 2028 contacts (-51.8/contact) +
2D Compatibility (PS) -26067 + (NN) -11634 + (LL) 492
1D Compatibility (HY) -13600 + (ID) 5100
Total energy: -160951.0 ( -79.36 by residue)
QMean score : 0.616
(partial model without unconserved sides chains):
PDB file :
Tito_4JRO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JRO-query.scw
PDB file :
Tito_Scwrl_4JRO.pdb
: