Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3JVH Chain:A ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFSDTDPRFKGADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
General information:
TITO was launched using:
RESULT:
Template:
3JVH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119069 for 1338 contacts (-89.0/contact) +
2D Compatibility (PS) -16951 + (NN) -10267 + (LL) 208
1D Compatibility (HY) -12400 + (ID) 4550
Total energy: -163029.0 ( -121.85 by residue)
QMean score : 0.624
(partial model without unconserved sides chains):
PDB file :
Tito_3JVH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JVH-query.scw
PDB file :
Tito_Scwrl_3JVH.pdb
: