Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLECENLSCIHNDKVLFKNLSFKAKPKSKVLITGPNGSGKTSLIRSLSGLLPPASGNIRYCKKDIYD-DLK----SYIPSMVYIGHKNACKDSLTVAQNIEFWAGIRN-----TKELIIAAICCLQLQPVFNIKYGELSAGWKRRVALARLLVSDASVWLVDEPFCNLDSATCELVLNLISVRSEQNGIVIITGHSSTEQLCSFTTIDVCNFNSYS
2PCJ Chain:A ((4-204))
ILRAENIKKVIRGYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELAELTHRTLEMKDGKVVG
General information:
TITO was launched using:
RESULT:
Template:
2PCJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157672 for 1473 contacts (-107.0/contact) +
2D Compatibility (PS) -20792 + (NN) -11652 + (LL) 0
1D Compatibility (HY) -4000 + (ID) 2450
Total energy: -196566.0 ( -133.45 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_2PCJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PCJ-query.scw
PDB file :
Tito_Scwrl_2PCJ.pdb
: