Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3K2X Chain:A ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFSD----FKGADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
General information:
TITO was launched using:
RESULT:
Template:
3K2X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116071 for 1286 contacts (-90.3/contact) +
2D Compatibility (PS) -16686 + (NN) -10850 + (LL) 584
1D Compatibility (HY) -13200 + (ID) 4450
Total energy: -160673.0 ( -124.94 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_3K2X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K2X-query.scw
PDB file :
Tito_Scwrl_3K2X.pdb
: