Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3IEW Chain:B ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLL---DADVLLHAITDALFGAAALGDIGRHFS-----FKGADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
General information:
TITO was launched using:
RESULT:
Template:
3IEW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115539 for 1244 contacts (-92.9/contact) +
2D Compatibility (PS) -16188 + (NN) -9241 + (LL) 352
1D Compatibility (HY) -13200 + (ID) 4250
Total energy: -158066.0 ( -127.06 by residue)
QMean score : 0.626
(partial model without unconserved sides chains):
PDB file :
Tito_3IEW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IEW-query.scw
PDB file :
Tito_Scwrl_3IEW.pdb
: