Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
3S8N Chain:A ((2-102))
-----------------------------------------------------EMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQV---------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3S8N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -59392 for 683 contacts (-87.0/contact) +
2D Compatibility (PS) -10917 + (NN) -7035 + (LL) 5496
1D Compatibility (HY) -14000 + (ID) 5050
Total energy: -90898.0 ( -133.09 by residue)
QMean score : 0.334
(partial model without unconserved sides chains):
PDB file :
Tito_3S8N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S8N-query.scw
PDB file :
Tito_Scwrl_3S8N.pdb
: