Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3IEQ Chain:A ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFSDTDPRFKGADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
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) -120251 for 1326 contacts (-90.7/contact) +
2D Compatibility (PS) -17080 + (NN) -10955 + (LL) 208
1D Compatibility (HY) -12400 + (ID) 4550
Total energy: -165028.0 ( -124.46 by residue)
QMean score : 0.611
(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
: