Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
3GR6 Chain:A ((6-260))
-LNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
General information:
TITO was launched using:
RESULT:
Template:
3GR6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136652 for 2229 contacts (-61.3/contact) +
2D Compatibility (PS) -28177 + (NN) -13189 + (LL) 208
1D Compatibility (HY) -34800 + (ID) 12750
Total energy: -225360.0 ( -101.10 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_3GR6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GR6-query.scw
PDB file :
Tito_Scwrl_3GR6.pdb
: