Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRAKMKDIYLDVEKSIKDLQSIFKNADGRDEKLKRFNQEALEVFQKLERESLKELESLKNNEEWENFTIAFYGETGAGKSTLIECLRMFFKEQSKVDQQERFKR--LYSTYQYNHQNFILLDVPGIEGSEKKVIDQISNATQKAHAIFMLPKRLILRKKEKKGKGERLKKSKNSLIRKQRYGRFSTNRLIAQEP
4DCS Chain:A ((181-253))
-------------------------------------------------EHFKNIPETKYNEEVIQFCL--IGRPNVGKSSLVNA--MLGEERVIVSN------DAVDTSFTYNQQEFVIVDTAGMRKKGKVYETTEKYSVLRALKAIDRSEVVAVVLDGEEGIIEQDKRIAGYAHEAGKAVVIVVNKWDAVDK
General information:
TITO was launched using:
RESULT:
Template:
4DCS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -25453 for 333 contacts (-76.4/contact) +
2D Compatibility (PS) -6847 + (NN) -1696 + (LL) 5408
1D Compatibility (HY) -5600 + (ID) 1050
Total energy: -35238.0 ( -105.82 by residue)
QMean score : 0.376
(partial model without unconserved sides chains):
PDB file :
Tito_4DCS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DCS-query.scw
PDB file :
Tito_Scwrl_4DCS.pdb
: