Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDGEKETSKLLHELKKATNLRQVLDENEAEFKSSEMVTYLKELLAEKKLTKASVIRAARLHETYGYQI----FSGVRRPSRDRTI---ALSFGFKLSGLEASRLLKYTEYPPLYAKNRRDAIIIFALDHGYTLDQTNDSLYDLEEALIETY-------------KEEKPLI---
4DOX Chain:A ((11-174))
IAFPAITQEQMSSIKV--------DPTSNLLPSQEQLKSVSTLMVAAKVPAASVTTVALELVNFCYDNGSSAYTTVTGPSSIPEISLAQLASIVKASGTSLRKFCRY--FAPIIWNLRTDKMAPANWEASGYKPSAKFAAFDFFDGVENPAAMQPPSGLTRSPTQEERIANATN
General information:
TITO was launched using:
RESULT:
Template:
4DOX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -14995 for 942 contacts (-15.9/contact) +
2D Compatibility (PS) -14426 + (NN) -5013 + (LL) 1036
1D Compatibility (HY) -3600 + (ID) 1350
Total energy: -38348.0 ( -40.71 by residue)
QMean score : 0.300
(partial model without unconserved sides chains):
PDB file :
Tito_4DOX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DOX-query.scw
PDB file :
Tito_Scwrl_4DOX.pdb
: