Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3KE1 Chain:C ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLG--DADVLLHAITDALFGAAALGDIGRHF----------DSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
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) -111605 for 1228 contacts (-90.9/contact) +
2D Compatibility (PS) -15929 + (NN) -8136 + (LL) 648
1D Compatibility (HY) -12800 + (ID) 4150
Total energy: -151972.0 ( -123.76 by residue)
QMean score : 0.594
(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
: