Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MILRLHEVARSHGAGRQRYRLRVPALELRAGRQLAIVGPSGCGKSTLLDLLALALAPDPGGRFEFLAGERPQDIAALWRDGRQDRLAALRRQHCGYVLQSGGLLEFLDVRRNIGLPCALLGA---PSAERVQALAERLEIGDQLDKKPAALSVGQRQRVAIARALAHAPRLLLADEPTAALDPLNAERVMRLLVEQARERGACTVVATHDERLARAAGLEVLAIRWQREADDSVGACLEEVG
2PCJ Chain:A ((3-222))
EILRAENIKKVIR---GYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTE-GKVFLEG----KEVDYTNE----KELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKIN-EGGTSIVMVTHERELAE-LTHRTLEMKDGKVVGEITRV------
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) -126233 for 1756 contacts (-71.9/contact) +
2D Compatibility (PS) -23465 + (NN) -9686 + (LL) 420
1D Compatibility (HY) -12800 + (ID) 3800
Total energy: -175564.0 ( -99.98 by residue)
QMean score : 0.451
(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
: