Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKKPIIIGVTGGSGGGKTSVSRAILSNFPDQKITMIEHDSYYKDQSHLTFEERVKTNYDHPLAFDTNLMIEQLNELIEGRPVDIPVYDYTKHTRSDRTIRQDPQDVIIVEGILVLEDQRLRDLMDIKLFVDTDDDIRIIRRIKRDMEERDRSLDSIIEQYTEVVKPMYHQFIEPTKRYADIVIPEGVSNIVAIDLINTKVASILNEAK
3W8R Chain:B ((5-196))
---KPFVIGIAGGTASGKTTLAQALARTL-GERVALLPMDHYYKDLGHLPLEERLRVNYDHPDAFDLALYLEHAQALLRGLPVEMPVYDFRAHTRSPRRTPVRPAPVVILEGILVLYPKELRDLMDLKVFVDADADERFIRRLKRDVLERGRSLEGVVAQYLEQVKPMHLHFVEPTKRYADVIVPRGGQNPVALEMLAAKALARLARMG
General information:
TITO was launched using:
RESULT:
Template:
3W8R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69584 for 1514 contacts (-46.0/contact) +
2D Compatibility (PS) -20991 + (NN) -8821 + (LL) 232
1D Compatibility (HY) -20800 + (ID) 4850
Total energy: -124814.0 ( -82.44 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_3W8R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3W8R-query.scw
PDB file :
Tito_Scwrl_3W8R.pdb
: