Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIQWFPGHMAKARREVTEKLKLVDVIFELVDARIPLSSSNPMLEEIIHQKRRVIILNKADTADEKTTKEWIDYFAEKGLPAVAVNAQEGKGLFKIEQAAEKLMAEKFDRLRSKGMKPRAIRAMILGIPNVGKSTLINRLAKKNIARTGNKPGVTKAQQWIKVGKTLELLDTPGILWPKFEDQEIGYKLALTGAIKDDLLQMEEIAGYGLRFLENHYPDRLQTWLKVETVSEDPIETLAFIAEKRGLLDRYNDPDYSRAAETVVREIRQQKLGRMSFDFPNWEDEVE
1PUJ Chain:A ((9-281))
--------HMAKARREVTEKLKLIDIVYELVDARIPMSSRNPMIEDILKNKPRIMLLNKADKADAAVTQQWKEHFENQGIRSLSINSVNGQGLNQIVPASKEILQEKFDRMRAKGVKPRAIRALIIGIPNVGKSTLINRLAKKNIA------------QWVKVGKELELLDTPGILWPKFEDELVGLRLAVTGAIKDSIINLQDVAVFGLRFLEEHYPERLKERYGLDEIPEDIAELFDAIGEKRGCLMSGGLINYDKTTEVIIRDIRTEKFGRLSFEQPT------
General information:
TITO was launched using:
RESULT:
Template:
1PUJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137598 for 2023 contacts (-68.0/contact) +
2D Compatibility (PS) -27960 + (NN) -10899 + (LL) 1368
1D Compatibility (HY) -29200 + (ID) 7450
Total energy: -211739.0 ( -104.67 by residue)
QMean score : 0.583
(partial model without unconserved sides chains):
PDB file :
Tito_1PUJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PUJ-query.scw
PDB file :
Tito_Scwrl_1PUJ.pdb
: