Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA
4AL3 Chain:A ((1-162))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEG-LSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLD------
General information:
TITO was launched using:
RESULT:
Template:
4AL3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38888 for 1241 contacts (-31.3/contact) +
2D Compatibility (PS) -16972 + (NN) -3041 + (LL) 992
1D Compatibility (HY) -9600 + (ID) 4550
Total energy: -72059.0 ( -58.07 by residue)
QMean score : 0.434
(partial model without unconserved sides chains):
PDB file :
Tito_4AL3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AL3-query.scw
PDB file :
Tito_Scwrl_4AL3.pdb
: