Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA
3K6L Chain:B ((2-165))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRL----
General information:
TITO was launched using:
RESULT:
Template:
3K6L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88898 for 1254 contacts (-70.9/contact) +
2D Compatibility (PS) -17339 + (NN) -270 + (LL) 660
1D Compatibility (HY) -24000 + (ID) 8200
Total energy: -138047.0 ( -110.09 by residue)
QMean score : 0.699
(partial model without unconserved sides chains):
PDB file :
Tito_3K6L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K6L-query.scw
PDB file :
Tito_Scwrl_3K6L.pdb
: