Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKKPIVVGVTGGSGSGKTSVTKAICN----HFSGHSILMIAQDVYYHDQANISFEDRLK--VNYDHPLAFDTDLLISHIAALRRYESIEKPIYDYAKYTRKKEVEIQEPREVIILEGILILEDKRLRDLMDIKVYVDTDDDIRFIRRLLRDMKERGRTMDSVIEQYLSVVKPMHNEFIEPTKKFADIIIPEGGENHVAIDLMTTKIESILQKHV
1UEJ Chain:B ((21-231))
---EPFLIGVSGGTASGKSSVCAKIVQLLGQ---QKQVVILSQDSFYRVLTSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDIL----
General information:
TITO was launched using:
RESULT:
Template:
1UEJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100742 for 1549 contacts (-65.0/contact) +
2D Compatibility (PS) -21197 + (NN) -5260 + (LL) 892
1D Compatibility (HY) -20800 + (ID) 4000
Total energy: -151107.0 ( -97.55 by residue)
QMean score : 0.404
(partial model without unconserved sides chains):
PDB file :
Tito_1UEJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1UEJ-query.scw
PDB file :
Tito_Scwrl_1UEJ.pdb
: