Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKKIFLLEDDYLLSESIKEFLEHLGYEVFCAFNGKEAHERLSVERFNLLLLDVQVPEMNSLELFKRIKNDFLISTPVIFITALQDNATLKNAFNLGASDYLKKPFDLDELEARIKRFFNDDPIEIMPNIFYHQHALNVKGKKEILAPKTAQLLEYFLEHKGQIISSQALENNLWEQAIDDSTLRTYIKVLRKLLGKNCIETHKGVGYRFNPL
1NXX Chain:A ((2-113))
--KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDL----IDGLEVAKTIRKTS--SVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRS-------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1NXX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99761 for 844 contacts (-118.2/contact) +
2D Compatibility (PS) -11825 + (NN) -6092 + (LL) 7716
1D Compatibility (HY) -8000 + (ID) 2050
Total energy: -120012.0 ( -142.19 by residue)
QMean score : 0.689
(partial model without unconserved sides chains):
PDB file :
Tito_1NXX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXX-query.scw
PDB file :
Tito_Scwrl_1NXX.pdb
: