Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQMPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
2AOB Chain:C ((2-97))
-------------------------------------------------------KPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDI------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2AOB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -30658 for 501 contacts (-61.2/contact) +
2D Compatibility (PS) -10623 + (NN) -6472 + (LL) 6240
1D Compatibility (HY) -13200 + (ID) 4800
Total energy: -59513.0 ( -118.79 by residue)
QMean score : 0.280
(partial model without unconserved sides chains):
PDB file :
Tito_2AOB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AOB-query.scw
PDB file :
Tito_Scwrl_2AOB.pdb
: