Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIGHGYDVHRFGEGDFITLGGVRIPHKHGLVAHSDGDVLLHALSDALLGAAALGDIGKHFPDTDPRFKGADSRALLRHVVAIVAEKGWKVGNVDATIVAQAPKMAPHIETMRGLIAEDLGVAVDQVNVKATTTERLGFTGREEGIAVHAVALLMAR
3IEQ Chain:B ((24-178))
FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLL---DADVLLHAITDALFGAAALGDIGRHFSDTDPRF--ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVV--
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) -122779 for 1247 contacts (-98.5/contact) +
2D Compatibility (PS) -16551 + (NN) -11795 + (LL) 296
1D Compatibility (HY) -15600 + (ID) 4600
Total energy: -171029.0 ( -137.15 by residue)
QMean score : 0.555
(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
: