Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALVVKDIVKNFGEGLSETKVLKGINFEVEQGEFVILNGASGSGKTTLLTILGGLLSQTSGTVLYNDAPLFDKQH-RPSDLRLEDIGFIFQSSHLVPYLKVIEQLTLVGQEAGMTKQQSSTRAIQLLKNIGLEDRLNVYPHQLSGGEKQRVAIMRAFMNNPKIILADEPTASLDADRATKVVEMIRQQIKEQQMIGIMITHDRRLFEYADRVIELEDGKITD
2PCJ Chain:A ((3-218))
EILRAENIKKVIR----GYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINE-GGTSIVMVTHERELAELTHRTLEMKDGKVV-
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) -130634 for 1742 contacts (-75.0/contact) +
2D Compatibility (PS) -23888 + (NN) -9755 + (LL) 108
1D Compatibility (HY) -13600 + (ID) 4150
Total energy: -181919.0 ( -104.43 by residue)
QMean score : 0.584
(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
: