Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQMPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
2AOB Chain:A ((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) -28336 for 499 contacts (-56.8/contact) +
2D Compatibility (PS) -10822 + (NN) -9084 + (LL) 6240
1D Compatibility (HY) -13200 + (ID) 4800
Total energy: -60002.0 ( -120.24 by residue)
QMean score : 0.253
(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
: