Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIGHGYDVHRFGEGDFITLGGVRIPHKHGLVAHSDGDVLLHALSDALLGAAALGDIGKHFPDTDPRFKGADSRALLRHVVAIVAEKGWKVGNVDATIVAQAPKMAPHIETMRGLIAEDLGVAVDQVNVKATTTERLGFTGREEGIAVHAVALLMAR
3KE1 Chain:B ((24-178))
FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLG--DADVLLHAITDALFGAAALGDIGRHF---------ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVV--
General information:
TITO was launched using:
RESULT:
Template:
3KE1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123340 for 1224 contacts (-100.8/contact) +
2D Compatibility (PS) -15718 + (NN) -7912 + (LL) 4
1D Compatibility (HY) -15200 + (ID) 4300
Total energy: -166466.0 ( -136.00 by residue)
QMean score : 0.551
(partial model without unconserved sides chains):
PDB file :
Tito_3KE1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KE1-query.scw
PDB file :
Tito_Scwrl_3KE1.pdb
: