Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNNLIEVRDLSKTFTLHQQQGVVLNVLRGLNFNVAGGECLVLHGRSGAGKSTLLRTLYGNYLPAGGSIRLRHAGDWLELVGAEPREVLAVRRQTLGYVSQFLRVIPRVATLDVVMEPALARGWSRDSAELRARSLLARLNIPERLWQLAPGTFSGGEQQRVNIARGFMVEWPILLLDEPTASLDEANRQVVLELIGEAKAAGAALIGIFHDRAAREAVASRYLDMSQELSRQEQAHVV
2PCJ Chain:A ((2-220))
-AEILRAENIKKVIR-------GYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKE----VDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKL-SRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELA-ELTHRTLEMKDGKVVGE-----
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) -131584 for 1770 contacts (-74.3/contact) +
2D Compatibility (PS) -23560 + (NN) -7408 + (LL) 2120
1D Compatibility (HY) -13600 + (ID) 3450
Total energy: -177482.0 ( -100.27 by residue)
QMean score : 0.465
(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
: