Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNNLIEVRDLSKTFTLHQQQGVVLNVLRGLNFNVAGGECLVLHGRSGAGKSTLLRTLYGNYLPAGGSIRLRHAGDWLELVGAEPREVLAVRRQTLGYVSQFLRVIPRVATLDVVMEPALARGWSRDSAELRARSLLARLNIPERLWQLAPGTFSGGEQQRVNIARGFMVEWPILLLDEPTASLDEANRQVVLELIGEAKAAGAALIGIFHDRAAREAVASRYLDMSQELSRQEQAHVV
2PCL Chain:A ((19-214))
-------------------------ILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFL----EGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSR-KPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELAE-LTHRTLEMKD-----------
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) -121781 for 1513 contacts (-80.5/contact) +
2D Compatibility (PS) -21085 + (NN) -8877 + (LL) 3788
1D Compatibility (HY) -12000 + (ID) 3450
Total energy: -163405.0 ( -108.00 by residue)
QMean score : 0.536
(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
: