Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIGHGYDVHRFGEGDFITLGGVRIPHKHGLVAHSDGDVLLHALSDALLGAAALGDIGKHFPDTDPRFKGADSRALLRHVVAIVAEKGWKVGNVDATIVAQAPKMAPHIETMRGLIAEDLGVAVDQVNVKATTTERLGFTGREEGIAVHAVALLMAR
3IEQ Chain:C ((24-178))
FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHF----------DSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVV--
General information:
TITO was launched using:
RESULT:
Template:
3IEQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124026 for 1235 contacts (-100.4/contact) +
2D Compatibility (PS) -15969 + (NN) -9100 + (LL) 132
1D Compatibility (HY) -15200 + (ID) 4350
Total energy: -168513.0 ( -136.45 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_3IEQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IEQ-query.scw
PDB file :
Tito_Scwrl_3IEQ.pdb
: