Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIQRVYVALGSNLAEPREQIQAALDAFERLPETRLVAVSPLYISDPLGPADQPRFVNGVAALDTNLAPLDLLDALQAIELEQGRVRDLRWGPRTLDLDILLFGEQLLDLPRLKVPHYHMQARAFVLYPLADLAPDLRLPDGRHLPELLAACPFEGIERLPGA
1RU1 Chain:A ((4-151))
-----YIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPP------PDYLNAAVALETSLAPEELLNHTQRIELQQG-----R---RTLDLDIMLFGNEVINTERLTVPHYDMKNRGFMLWPLFEIAPELVFPDGEMLRQILHTRAFDKLNK----
General information:
TITO was launched using:
RESULT:
Template:
1RU1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108722 for 1040 contacts (-104.5/contact) +
2D Compatibility (PS) -14857 + (NN) -7756 + (LL) 1220
1D Compatibility (HY) -16000 + (ID) 3400
Total energy: -149515.0 ( -143.76 by residue)
QMean score : 0.645
(partial model without unconserved sides chains):
PDB file :
Tito_1RU1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1RU1-query.scw
PDB file :
Tito_Scwrl_1RU1.pdb
: