Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKKPIIIGVTGGSGGGKTSVSRAILS-------NFPDQKITMIEHDSYYKDQSHLTFEERVKT-----NYDHPLAFDTNLMIEQLNELIEGRPVDIPVYDYTKHTRSDRTIRQDPQDVIIVEGILVLEDQRLRDLMDIKLFVDTDDDIRIIRRIKRDMEERDRSLDSIIEQYTEVVKPMYHQFIEPTKRYADIVIPEGVSNIVAIDLINTKVASILNEAK
1XRJ Chain:B ((19-230))
---EPFLIGVSGGTASGKSSVCAKIVQLLGQNEVDYRQKQVVILSQDSFYR---VLTSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDILNG--
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) -85653 for 1543 contacts (-55.5/contact) +
2D Compatibility (PS) -21839 + (NN) -9403 + (LL) 636
1D Compatibility (HY) -22400 + (ID) 4600
Total energy: -143259.0 ( -92.84 by residue)
QMean score : 0.501
(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
: