Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3MBM Chain:A ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFSDTDPRFKGADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
General information:
TITO was launched using:
RESULT:
Template:
3MBM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116877 for 1322 contacts (-88.4/contact) +
2D Compatibility (PS) -16923 + (NN) -10252 + (LL) 208
1D Compatibility (HY) -12400 + (ID) 4550
Total energy: -160794.0 ( -121.63 by residue)
QMean score : 0.579
(partial model without unconserved sides chains):
PDB file :
Tito_3MBM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MBM-query.scw
PDB file :
Tito_Scwrl_3MBM.pdb
: