Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3IEQ Chain:B ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLL---DADVLLHAITDALFGAAALGDIGRHFSDTDPRF--ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
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) -110936 for 1257 contacts (-88.3/contact) +
2D Compatibility (PS) -16701 + (NN) -9341 + (LL) 40
1D Compatibility (HY) -12400 + (ID) 4350
Total energy: -153688.0 ( -122.27 by residue)
QMean score : 0.559
(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
: