Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKKPIIIGVTGGSGGGKTSVSRAILSNFPDQKITMIEHDSYYKDQSHLTFEERVKTNYDHPLAFDTNLMIEQLNELIEGRPVDIPVYDYTKHTRSDRTIRQDPQDVIIVEGILVLEDQRLRDLMDIKLFVDTDDDIRIIRRIKRDMEERDRSLDSIIEQYTEVVKPMYHQFIEPTKRYADIVIPEGVSNIVAIDLINTKVASILNEAK
3ASZ Chain:B ((5-196))
---KPFVIGIAGGTASGKTTLAQALARTL-GERVALLPMDHYYKDLGHLPLEERLRVNYDHPDAFDLALYLEHAQALLRGLPVEMPVYDFRAYTRSPRRTPVRPAPVVILEGILVLYPKELRDLMDLKVFVDADADERFIRRLKRDVLERGRSLEGVVAQYLEQVKPMHLHFVEPTKRYADVIVPRGGQNPVALEMLAAKALARLARMG
General information:
TITO was launched using:
RESULT:
Template:
3ASZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66250 for 1517 contacts (-43.7/contact) +
2D Compatibility (PS) -20893 + (NN) -8692 + (LL) 232
1D Compatibility (HY) -20800 + (ID) 4800
Total energy: -121203.0 ( -79.90 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_3ASZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ASZ-query.scw
PDB file :
Tito_Scwrl_3ASZ.pdb
: