Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKKPIVVGVTGGSGSGKTSVTKAICN----HFSGHSILMIAQDVYYHDQANISFEDRLK--VNYDHPLAFDTDLLISHIAALRRYESIEKPIYDYAKYTRKKEVEIQEPREVIILEGILILEDKRLRDLMDIKVYVDTDDDIRFIRRLLRDMKERGRTMDSVIEQYLSVVKPMHNEFIEPTKKFADIIIPEGGENHVAIDLMTTKIESILQKHV
1UEJ Chain:A ((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) -104084 for 1565 contacts (-66.5/contact) +
2D Compatibility (PS) -21246 + (NN) -7521 + (LL) 892
1D Compatibility (HY) -20800 + (ID) 4000
Total energy: -156759.0 ( -100.17 by residue)
QMean score : 0.469
(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
: