Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVII--NEMEYQTKKEVMTLKKEVLGFIFQNYLLMENETVLENLSITG---GENRKLMIEH----LEEVGMDESYLAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNKQKIIELFLALKKQGKTIVCVTHDPEISAKADRIIYIEGGEIR
2PCL Chain:A ((9-217))
-----NIKKVIRGYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDK-LSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELAELTHRTLEMKDGKV-
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) -107879 for 1539 contacts (-70.1/contact) +
2D Compatibility (PS) -21994 + (NN) -10337 + (LL) 1076
1D Compatibility (HY) -18000 + (ID) 4150
Total energy: -161284.0 ( -104.80 by residue)
QMean score : 0.440
(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
: