Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLKGKKGLIVGVANNKSIAYGIAQSCFNQGATLAFTYLNESLEKRVRPIAQELNSPYVYELDVSKEEHFKSLYNNIKQDLGSLDFIVHSVAFAPKEALEGSLLETSKSAFNTAMEISVYSLIELTNTLKPLLNNGASVLTLSYLGSTKYMAHYNVMGLAKAALESAVRYLAVDLGKHNIRVNALSAGPIRTLASSGIADFRMILKWNEINAPLRKNVSLEEVGNAGMYLLSSLSNGVSGEVHFVDAGYHVMGMGAVEEKDNKATLLWDLHKEQ
3K31 Chain:A ((27-282))
--LMEGKKGVIIGVANDKSLAWGIAKAVCAQGAEVALTYLSETFKKRVDPLAESLGVKLTVPCDVSDAESVDNMFKVLAEEWGSLDFVVHAVAFSDKNELKGRYVDTSLGNFLTSMHISCYSFTYIASKAEPLMTNGGSILTLSYYGAEKVVPHYNVMGVCKAALEASVKYLAVDLGKQQIRVNAISAGPVRTLASSGISDFHYILTWNKYNSPLRRNTTLDDVGGAALYLLSDLGRGTTGETVHVDCGYHVVGMKSV-----------------
General information:
TITO was launched using:
RESULT:
Template:
3K31.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -183369 for 2129 contacts (-86.1/contact) +
2D Compatibility (PS) -28124 + (NN) -9590 + (LL) 1352
1D Compatibility (HY) -32800 + (ID) 6800
Total energy: -259331.0 ( -121.81 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_3K31.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K31-query.scw
PDB file :
Tito_Scwrl_3K31.pdb
: