Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPAEVPTASPLLETVGLACERDWRMLFERLDLRLAAGEMLQVVGPNGSGKTSLLRLLSGLMQPTAGEVRLNGRPLAEQR-GE----LARSLLWIGHAAGIKGLLSAEENLTWLCALHQP---ASREAIWQALADVGLRGFEDVPCHTLSAGQQRRVALARLYLDAPPLWILDEPFTALDKQGVAQLETHLAGHCQRGGMVVLTTHHSLQQVPAGYRELDLGALKAASGATVEPALGDPA
2PCJ Chain:A ((2-222))
----------AEILRAENIKKVIRGYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELAEL-THRTLEMKDGKVVGEITRV-------
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) -134793 for 1708 contacts (-78.9/contact) +
2D Compatibility (PS) -23321 + (NN) -12025 + (LL) 832
1D Compatibility (HY) -8000 + (ID) 2700
Total energy: -180007.0 ( -105.39 by residue)
QMean score : 0.449
(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
: