Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLKGKKGLIVGVANNKSIAYGIAQSCFNQGATLAFTYLNESLEKRVRPIAQELNSPYVYELDVSKEEHFKSLYNNIKQDLGSLDFIVHSVAFAPKEALEGSLLETSKSAFNTAMEISVYSLIELTNTLKPLLNNGASVLTLSYLGSTKYMAHYNVMGLAKAALESAVRYLAVDLGKHNIRVNALSAGPIRTLASSGIADFRMILKWNEINAPLRKNVSLEEVGNAGMYLLSSLSNGVSGEVHFVDAGYHVMGMGAVEEKDNKATLLWDLHKEQ
3K2E Chain:B ((27-286))
--LMEGKKGVIIGVANDKSLAWGIAKAVCAQGAEVALTYLSETFKKRVDPLAESLGVKLTVPCDVSDAESVDNMFKVLAEEWGSLDFVVHAVAFSDKNELKGRYVDTSLGNFLTSMHISCYSFTYIASKAEPLMTNGGSILTLSYYGAEKVVPHYNVMGVCKAALEASVKYLAVDLGKQQIRVNAISAGPVR-------SDFHYILTWNKYNSPLRRNTTLDDVGGAALYLLSDLGRGTTGETVHVDCGYHVVGMKSVDAPDI------------
General information:
TITO was launched using:
RESULT:
Template:
3K2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169214 for 2119 contacts (-79.9/contact) +
2D Compatibility (PS) -27744 + (NN) -9118 + (LL) 1384
1D Compatibility (HY) -32000 + (ID) 6500
Total energy: -243192.0 ( -114.77 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_3K2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K2E-query.scw
PDB file :
Tito_Scwrl_3K2E.pdb
: