Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIQRVYVALGSNLAEPREQIQAALDAFERLPETRLVAVSPLYISDPLGPADQPRFVNGVAALDTNLAPLDLLDALQAIELEQGRVRDL-RWGPRTLDLDILLFGEQLLDLPRLKVPHYHMQARAFVLYPLADLAPDLRLPDGRHLPELLAACPFEGIERLPGA
1HQ2 Chain:A ((4-157))
-----YIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPPLGPQDQPDYLNAAVALETSLAPEELLNHTQRIELQQGAVRKAERWGPRTLDLDIMLFGNEVINTERLTVPHYDMKNRGFMLWPLFEIAPELVFPDGEMLRQILHTRAFDKLNK----
General information:
TITO was launched using:
RESULT:
Template:
1HQ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98024 for 1166 contacts (-84.1/contact) +
2D Compatibility (PS) -16194 + (NN) -9959 + (LL) 832
1D Compatibility (HY) -16800 + (ID) 3900
Total energy: -144045.0 ( -123.54 by residue)
QMean score : 0.598
(partial model without unconserved sides chains):
PDB file :
Tito_1HQ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1HQ2-query.scw
PDB file :
Tito_Scwrl_1HQ2.pdb
: