Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LYEKLVNKYQDEVTIREEKMPYKLPGLYLNGMIFISKDQSSIEKGCVLVEELMHYKYTVGNITKQETIMDKKQEIFARRKGYEELIPLDDIIACFYLGLREYFEVAEFLEVTEEFLRHTVSHYAEKYGPMYDYGGYFINFGNSIDVYKKF
3E5W Chain:A ((96-161))
---------------------------YEDGGVFTVMQDTSLEDGCLVY----HAKVTGVNFPSNGAVMQKKT------KGWE---PSTEMLYPADGGLRGYCQMA--------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3E5W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -4921 for 293 contacts (-16.8/contact) +
2D Compatibility (PS) -6962 + (NN) 1910 + (LL) 6680
1D Compatibility (HY) -3600 + (ID) 1150
Total energy: -8043.0 ( -27.45 by residue)
QMean score : -0.033
(partial model without unconserved sides chains):
PDB file :
Tito_3E5W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3E5W-query.scw
PDB file :
Tito_Scwrl_3E5W.pdb
: