Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIQAYLGLGSNIGDRESQLNDAIKILNEYDGISVSNISPIYETAPVGYTEQPNFLNLCVEIQTTLTVLQLLECCLKTEECLHRIRKERWGPRTLDVDILLYGEEMIDLPKLSVPHPRMNERAFVLIPLNDIAANVVEPRSKLKVKDLVFVDDSVKRYK
1RU1 Chain:B ((3-136))
---AYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPPLGPQDQPDYLNAAVALETSLAPEELLNHTQRIE-----LQQGRGGPRTLDLDIMLFGNEVINTERLTVPHYDMKNRGFMLWPLFEIAPELVFPDGEM----------------
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) -92140 for 994 contacts (-92.7/contact) +
2D Compatibility (PS) -13972 + (NN) -4902 + (LL) 2280
1D Compatibility (HY) -11600 + (ID) 2600
Total energy: -122934.0 ( -123.68 by residue)
QMean score : 0.519
(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
: