Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
4FS3 Chain:A ((1-256))
MLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIKERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
General information:
TITO was launched using:
RESULT:
Template:
4FS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137557 for 2177 contacts (-63.2/contact) +
2D Compatibility (PS) -28099 + (NN) -12706 + (LL) 0
1D Compatibility (HY) -35200 + (ID) 12750
Total energy: -226312.0 ( -103.96 by residue)
QMean score : 0.582
(partial model without unconserved sides chains):
PDB file :
Tito_4FS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4FS3-query.scw
PDB file :
Tito_Scwrl_4FS3.pdb
: