Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA
2W3T Chain:A ((1-167))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKAR-
General information:
TITO was launched using:
RESULT:
Template:
2W3T.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86958 for 1291 contacts (-67.4/contact) +
2D Compatibility (PS) -17703 + (NN) -1874 + (LL) 352
1D Compatibility (HY) -24000 + (ID) 8350
Total energy: -138533.0 ( -107.31 by residue)
QMean score : 0.716
(partial model without unconserved sides chains):
PDB file :
Tito_2W3T.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W3T-query.scw
PDB file :
Tito_Scwrl_2W3T.pdb
: