Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKKPIIIGVTGGSGGGKTSVSRAILS-------NFPDQKITMIEHDSYYKDQSHLTFEERVKT-----NYDHPLAFDTNLMIEQLNELIEGRPVDIPVYDYTKHTRSDRTIRQDPQDVIIVEGILVLEDQRLRDLMDIKLFVDTDDDIRIIRRIKRDMEERDRSLDSIIEQYTEVVKPMYHQFIEPTKRYADIVIPEGVSNIVAIDLINTKVASILNEAK
1UFQ Chain:A ((19-230))
---EPFLIGVSGGTASGKSSVCAKIVQLLGQNEVDYRQKQVVILSQDSFYR---VLTSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDILN---
General information:
TITO was launched using:
RESULT:
Template:
1UFQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80286 for 1523 contacts (-52.7/contact) +
2D Compatibility (PS) -22160 + (NN) -10082 + (LL) 700
1D Compatibility (HY) -22400 + (ID) 4600
Total energy: -138828.0 ( -91.15 by residue)
QMean score : 0.546
(partial model without unconserved sides chains):
PDB file :
Tito_1UFQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1UFQ-query.scw
PDB file :
Tito_Scwrl_1UFQ.pdb
: