Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA
1LRU Chain:A ((1-164))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRL----
General information:
TITO was launched using:
RESULT:
Template:
1LRU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -84491 for 1244 contacts (-67.9/contact) +
2D Compatibility (PS) -17136 + (NN) 1212 + (LL) 660
1D Compatibility (HY) -24000 + (ID) 8150
Total energy: -131905.0 ( -106.03 by residue)
QMean score : 0.736
(partial model without unconserved sides chains):
PDB file :
Tito_1LRU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1LRU-query.scw
PDB file :
Tito_Scwrl_1LRU.pdb
: