Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MANTGSLVLLRHGESDWNALNLFTGWVDVGLTDKGQAEAVRSGELIAEHDLLPDVLYTSLLRRAITTAHLALDSADRLWIPVRRSWRLNERHYGALQGLDKAETKARYGEEQFMAWRRSYDTPPPPIERGSQFSQDADPR--YADIGGGPLTECLADVVARFLPYFTDVIVGDLRVGKTVLIVAHGNSLRALVKHLDQMSDDEIVGLNIPTGIPLRYDLDSAMRPLVRGGTYLDPEAAAAGAAAVAGQGRG
1BQ3 Chain:D ((2-234))
-----KLVLVRHGQSEWNEKNLFTGWVDVKLSAKGQQEAARAGELLKEKKVYPDVLYTSKLSRAIQTANIALEKADRLWIPVNRSWRLNERHYGDLQGKDKAETLKKFGEEKFNTYRRSFDVPPPPIDASSPFSQKGDERYKYVDPNVLPETESLALVIDRLLPYWQDVIAKDLLSGKTVMIAAHGNSLRGLVKHLEGISDADIAKLNIPTGIPLVFELDENLKP-SKPSYYLDPEAAA------------
General information:
TITO was launched using:
RESULT:
Template:
1BQ3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101402 for 1894 contacts (-53.5/contact) +
2D Compatibility (PS) -25118 + (NN) -16881 + (LL) 772
1D Compatibility (HY) -20800 + (ID) 7350
Total energy: -170779.0 ( -90.17 by residue)
QMean score : 0.474
(partial model without unconserved sides chains):
PDB file :
Tito_1BQ3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BQ3-query.scw
PDB file :
Tito_Scwrl_1BQ3.pdb
: