Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVRELPGAWNFRDVADTATALRPGRLFRSSELSRLDDAGRATLRRLGITDVADLRSSREVARRGPGRVPDGIDVHLLPFPDLADDDADDSAPHETAFKRLLTNDGSNGESGESSQSINDAATRYMTDEYRQFPTRNGAQRALHRVVTLLAAGRPVLTHCFAGKDRTGFVVALVLEAVGLDRDVIVADYLRSNDSVPQLRARISEMIQQRFDTELAPEVVTFTKARLSDGVLGVRAEYLAAARQTIDETYGSLGGYLRDAGISQATVNRMRGVLLG
2OZ5 Chain:B ((24-296))
---RELPGAWNFRDVADTATALRPGRLFRSSELSRLDDAGRATLRRLGITDVADLRSSREVARRGPGRVPDGIDVHLLPFPDLADDDADDSAPHETAFKRLLTN------------SINDAATRYMTDEYRQFPTRNGAQRALHRVVTLLAAGRPVLTHCFAGKDRTGFVVALVLEAVGLDRDVIVADYLRSNDSVPQLRARISEMIQQRFDTELAPEVVTFTKARLSDGVLGVRAEYLAAARQTIDETYGSLGGYLRDAGISQATVNRMRGVLLG
General information:
TITO was launched using:
RESULT:
Template:
2OZ5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138262 for 2151 contacts (-64.3/contact) +
2D Compatibility (PS) -28475 + (NN) -16885 + (LL) 88
1D Compatibility (HY) -31600 + (ID) 13050
Total energy: -228184.0 ( -106.08 by residue)
QMean score : 0.654
(partial model without unconserved sides chains):
PDB file :
Tito_2OZ5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OZ5-query.scw
PDB file :
Tito_Scwrl_2OZ5.pdb
: