Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKKPIIIGVTGGSGGGKTSVSRAILSNFPDQ-------KITMIEHDSYYKDQSHLTF--EERVKTNYDHPLAFDTNLMIEQLNELIEGRPVDIPVYDYTKHTRSDRTIRQDPQDVIIVEGILVLEDQRLRDLMDIKLFVDTDDDIRIIRRIKRDMEERDRSLDSIIEQYTEVVKPMYHQFIEPTKRYADIVIPEGVSNIVAIDLINTKVASILNEAK
1UJ2 Chain:A ((21-233))
---EPFLIGVSGGTASGKSSVCAKIVQLLGQNEVDYRQKQVVILSQDSFYRVLTSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDILNG--
General information:
TITO was launched using:
RESULT:
Template:
1UJ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83189 for 1605 contacts (-51.8/contact) +
2D Compatibility (PS) -22232 + (NN) -9380 + (LL) 580
1D Compatibility (HY) -21600 + (ID) 4400
Total energy: -140221.0 ( -87.37 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_1UJ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1UJ2-query.scw
PDB file :
Tito_Scwrl_1UJ2.pdb
: