Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVII--NEMEYQTKKEVMTLKKEVLGFIFQNYLLMENETVLENLSITG---GENRKLMIEH----LEEVGMDESYLAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNKQKIIELFLALKKQGKTIVCVTHDPEISAKADRIIYIEGGEIR
2PCJ Chain:B ((9-217))
-----NIKKVIRGYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDK-LSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELAELTHRTLEMKDGKV-
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) -108855 for 1540 contacts (-70.7/contact) +
2D Compatibility (PS) -21978 + (NN) -10367 + (LL) 1076
1D Compatibility (HY) -18000 + (ID) 4150
Total energy: -162274.0 ( -105.37 by residue)
QMean score : 0.430
(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
: