Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-----------MKGLTELLKGSLEGMILERISRGETYGYEITKYLNDL-GFDEIVEGTVYTILVRLEKKGLVEIEKKKSEL-GPPRKFYTLSPAGEEELAIFWKRWDFIQGKIMQVKGGQA
2E1N Chain:A ((13-122))
MDFEDIYRFFQDPPPHYLSKELAVCYVLAVLRHEDSYGTELIQHLETHWPNYRLSDTVLYTALKFLEDEQIISGYWKKVEGRGRPRRMYQLAQANDDRSRDLAQLWERYL-----------
General information:
TITO was launched using:
RESULT:
Template:
2E1N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -34005 for 652 contacts (-52.2/contact) +
2D Compatibility (PS) -10151 + (NN) -1019 + (LL) 600
1D Compatibility (HY) -1600 + (ID) 1100
Total energy: -47275.0 ( -72.51 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_2E1N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2E1N-query.scw
PDB file :
Tito_Scwrl_2E1N.pdb
: