Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEVKHVKKVYGKGLNATTALNQMNLSVGAGEFVAIMGESGSGKSTLLNLIASFDGLTEGDIIVDGAHLNNMKNKSKALYRQQMVGFVFQDFNLLPTMTNKENIMMPLILAGAKRKDIEQRVHQLAVQLHLEGFLNKYPSEISGGQKQRIAIARALVTKPTILLADEPTGALDSKTSKALMMLFQEIHQLEQTILMVTHSNIDASYAERVIFIKDGRLYHEIYRGEESQLAFQQRITDSLALVNGGSVNI
2PCJ Chain:B ((4-223))
-ILRAENIKKV----IRGYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELAELTHRTLEMKDGKVVGEITR--------------------------
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) -146777 for 1791 contacts (-82.0/contact) +
2D Compatibility (PS) -23942 + (NN) -7992 + (LL) 1644
1D Compatibility (HY) -18000 + (ID) 4500
Total energy: -199567.0 ( -111.43 by residue)
QMean score : 0.402
(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
: