Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLEIRPAVPADAEQILAFIIELADYERARHEVVTDVEGIRRSLFAEGSPTRALMC-------LSEGRPI-GYAVYFYSYSTWLGRNGIYLEDLYVTPEYRGVGAGRRLLRELAREAVANDCGRLEWSVLDWNQPAIDFYRSIGA--LPQDE-WVRYRLDGEALRKMAE
3BJ8 Chain:D ((4-167))
--FKIRPATASDCSDILRLIKELAKYEYMEDQVILTEKDLQEDGFGEHPFYHCLVAEVPKEHWTPEGHSIVGFAMYYFTYDPWIGKL-LYLEDFFVMSDYRGFGIGSEILKNLSQVAMKCRCSSMHFLVAEWNEPSINFYKRRGASDL----GWRLFKIDKEYLLKM--
General information:
TITO was launched using:
RESULT:
Template:
3BJ8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87455 for 944 contacts (-92.6/contact) +
2D Compatibility (PS) -16290 + (NN) -6124 + (LL) 344
1D Compatibility (HY) -16000 + (ID) 2800
Total energy: -128325.0 ( -135.94 by residue)
QMean score : 0.475
(partial model without unconserved sides chains):
PDB file :
Tito_3BJ8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BJ8-query.scw
PDB file :
Tito_Scwrl_3BJ8.pdb
: