Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
4BNJ Chain:A ((28-282))
-VNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
General information:
TITO was launched using:
RESULT:
Template:
4BNJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142709 for 2238 contacts (-63.8/contact) +
2D Compatibility (PS) -28255 + (NN) -14340 + (LL) 208
1D Compatibility (HY) -34800 + (ID) 12700
Total energy: -232596.0 ( -103.93 by residue)
QMean score : 0.591
(partial model without unconserved sides chains):
PDB file :
Tito_4BNJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNJ-query.scw
PDB file :
Tito_Scwrl_4BNJ.pdb
: