Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LYEKLVNKYQDEVTIREEKMPYKLPGLYLNGMIFISKDQSSIEKGCVLVEELMHYKYTVGNITKQETIMDKKQEIFARRKGYEELIPLDDIIACFYLGLREYFEVAEFLEVTEEFLRHTVSHY-----AEKYGPMYDYGGYFINFGNSIDVYKKF
4I1R Chain:A ((25-116))
--------------------------------------------------------------------------------------PLVDVYELTNLLRQLDFKVVSLLDLTEYEMRNAVDEFLLLLDKGVYGLLYYAGHGYENFGNS-------
General information:
TITO was launched using:
RESULT:
Template:
4I1R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -18559 for 249 contacts (-74.5/contact) +
2D Compatibility (PS) -5821 + (NN) -394 + (LL) 7800
1D Compatibility (HY) -4000 + (ID) 1000
Total energy: -21974.0 ( -88.25 by residue)
QMean score : 0.084
(partial model without unconserved sides chains):
PDB file :
Tito_4I1R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4I1R-query.scw
PDB file :
Tito_Scwrl_4I1R.pdb
: