Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKKPIVVGVTGGSGSGKTSVTKAICN-------HFSGHSILMIAQDVYYHDQANISFEDRLK--VNYDHPLAFDTDLLISHIAALRRYESIEKPIYDYAKYTRKKEVEIQEPREVIILEGILILEDKRLRDLMDIKVYVDTDDDIRFIRRLLRDMKERGRTMDSVIEQYLSVVKPMHNEFIEPTKKFADIIIPEGGENHVAIDLMTTKIESILQKHV
1XRJ Chain:A ((20-229))
----PFLIGVSGGTASGKSSVCAKIVQLLGQNEVDYRQKQVVILSQDSFYRVLTSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDIL----
General information:
TITO was launched using:
RESULT:
Template:
1XRJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96312 for 1558 contacts (-61.8/contact) +
2D Compatibility (PS) -21789 + (NN) -8556 + (LL) 808
1D Compatibility (HY) -21200 + (ID) 4000
Total energy: -151049.0 ( -96.95 by residue)
QMean score : 0.399
(partial model without unconserved sides chains):
PDB file :
Tito_1XRJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XRJ-query.scw
PDB file :
Tito_Scwrl_1XRJ.pdb
: