Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQRSNILEITAGLFVLVFTIFLAFFAINKLSDIKKSYKGCYKIYGFFSNANGIEVGDSVKISGVNIGSITGISLDKATYVARLDMCISKDIKLPIDSSALITSSGVVGSKFVNISPGSGIKLISNGGKIEYTQSEANVGGIIDKILNMFSK
3A3E Chain:A ((397-430))
-----------------------------------SLKGVYNLAGFMTNARGEKVAFVQFINGYSTGDLESKTKRAPLVQFERNLYNELYKY-----------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3A3E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -1620 for 130 contacts (-12.5/contact) +
2D Compatibility (PS) -3850 + (NN) -2837 + (LL) 6352
1D Compatibility (HY) -2400 + (ID) 650
Total energy: -5005.0 ( -38.50 by residue)
QMean score : -0.089
(partial model without unconserved sides chains):
PDB file :
Tito_3A3E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A3E-query.scw
PDB file :
Tito_Scwrl_3A3E.pdb
: