Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3Q8H Chain:A ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFS--------ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
General information:
TITO was launched using:
RESULT:
Template:
3Q8H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119107 for 1268 contacts (-93.9/contact) +
2D Compatibility (PS) -16199 + (NN) -9952 + (LL) 628
1D Compatibility (HY) -12800 + (ID) 4300
Total energy: -161730.0 ( -127.55 by residue)
QMean score : 0.552
(partial model without unconserved sides chains):
PDB file :
Tito_3Q8H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3Q8H-query.scw
PDB file :
Tito_Scwrl_3Q8H.pdb
: