Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKKIFLLEDDYLLSESIKEFLEHLGYEVFCAFNGKEAHERLSVERFNLLLLDVQVPEMNSLELFKRIKNDFLISTPVIFITALQDNATLKNAFNLGASDYLKKPFDLDELEARIKRFFNDDPIEIMPNIFYHQHALNVKGKKEILAPKTAQLLEYFLEHKGQIISSQALENNLWEQAIDDSTLRTYIKVLRKLLGKNCIETHKGVGYRFNPL
3LTE Chain:S ((7-124))
--KRILVVDDDQAMAAAIERVLKRDHWQVEIAHNGFDAGIKLSTFEPAIMTLDLSMPKLDGLDVIRSLRQNKVANQPKILVVSGLDKAKLQQAVTEGADDYLEKPFDNDALLDRIHDLVN---------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3LTE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92524 for 902 contacts (-102.6/contact) +
2D Compatibility (PS) -12988 + (NN) -7939 + (LL) 7056
1D Compatibility (HY) -8400 + (ID) 1850
Total energy: -116645.0 ( -129.32 by residue)
QMean score : 0.729
(partial model without unconserved sides chains):
PDB file :
Tito_3LTE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LTE-query.scw
PDB file :
Tito_Scwrl_3LTE.pdb
: