Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRHKHGYRKLGRTSSHRKALLKNLAIALIEHNKIETGIYKAKELRSYIEKLTTVARVGDFNAHRHVFAYLQNKEATHKLVTEIAPKYAQRNGGYTRIQRTTFRRGDASTLATIEFV
3PIO Chain:K ((3-115))
--HGKAGRKLNRNSSARVALARAQATALLREGRIQTTLTKAKELRPFVEQLITTAKGGDLHSRRLVAQDIHDKDVVRKVMDEVAPKYAERPGGYTRILRVGTRRGDGVTMALIEL-
General information:
TITO was launched using:
RESULT:
Template:
3PIO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -49605 for 749 contacts (-66.2/contact) +
2D Compatibility (PS) -12227 + (NN) -6648 + (LL) 500
1D Compatibility (HY) -4800 + (ID) 2650
Total energy: -75430.0 ( -100.71 by residue)
QMean score : 0.623
(partial model without unconserved sides chains):
PDB file :
Tito_3PIO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PIO-query.scw
PDB file :
Tito_Scwrl_3PIO.pdb
: