Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEVKHVKKVYGKGLNATTALNQMNLSVGAGEFVAIMGESGSGKSTLLNLIASFDGLTEGDIIVDGAHLNNMKNKSKALYRQQMVGFVFQDFNLLPTMTNKENIMMPLILAGAKRKDIEQRVHQLAVQLHLEGFLNKYPSEISGGQKQRIAIARALVTKPTILLADEPTGALDSKTSKALMMLFQEIHQLEQTILMVTHSNIDASYAERVIFIKDGRLYHEIYRGEESQLAFQQRITDSLALVNGGSVNI
2PCL Chain:A ((4-223))
-ILRAENIKKV----IRGYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELAELTHRTLEMKDGKVVGEITR--------------------------
General information:
TITO was launched using:
RESULT:
Template:
2PCL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147005 for 1782 contacts (-82.5/contact) +
2D Compatibility (PS) -23973 + (NN) -8036 + (LL) 1644
1D Compatibility (HY) -18000 + (ID) 4500
Total energy: -199870.0 ( -112.16 by residue)
QMean score : 0.425
(partial model without unconserved sides chains):
PDB file :
Tito_2PCL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PCL-query.scw
PDB file :
Tito_Scwrl_2PCL.pdb
: