Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHSTPKRVLLAGATGLTGEHLLDRILSEPTLAKVIAPARKALAEHPRLDNPVGPLAELLPQLDGSIDTAFCCLGTTIKEAGSEEAFRAVDFDLPLAVGKRALEMGARHYLVVSALGADAKSSIFYNRVKGELEQALQEQGWPQLTIARPSLLFGPREEFRLAEILAAPIARILPGKYHGIEACDLARALWRLALEEGKGVRFVESDELRKLGK--
2A35 Chain:A ((4-215))
---TPKRVLLAGATGLTGEHLLDRILSEPTLAKVIAPARKALAEHPRLDNPVGPLAELLPQLDGSIDTAFCCLGTTIKEAGSEEAFRAVDFDLPLAVGKRALEMGARHYLVVSALGADAKSSIFYNRVKGELEQALQEQGWPQLTIARPSLLFGPREEFRLAEILAAPIA----GKYHGIEACDLARALWRLALEEGKGVRFVESDELRKLGKGS
General information:
TITO was launched using:
RESULT:
Template:
2A35.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139915 for 1738 contacts (-80.5/contact) +
2D Compatibility (PS) -22282 + (NN) -6904 + (LL) 564
1D Compatibility (HY) -26800 + (ID) 10300
Total energy: -205637.0 ( -118.32 by residue)
QMean score : 0.587
(partial model without unconserved sides chains):
PDB file :
Tito_2A35.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A35-query.scw
PDB file :
Tito_Scwrl_2A35.pdb
: