Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
2AOA Chain:A ((4-96))
---------------------------------------------------------HPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRD-------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2AOA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -27306 for 483 contacts (-56.5/contact) +
2D Compatibility (PS) -10484 + (NN) -7843 + (LL) 6352
1D Compatibility (HY) -12800 + (ID) 4600
Total energy: -56681.0 ( -117.35 by residue)
QMean score : 0.232
(partial model without unconserved sides chains):
PDB file :
Tito_2AOA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AOA-query.scw
PDB file :
Tito_Scwrl_2AOA.pdb
: