Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQMPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
3IN7 Chain:A ((3-101))
------------------------------------------------------MKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQ----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3IN7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62333 for 664 contacts (-93.9/contact) +
2D Compatibility (PS) -10699 + (NN) -7208 + (LL) 5808
1D Compatibility (HY) -13600 + (ID) 4950
Total energy: -92982.0 ( -140.03 by residue)
QMean score : 0.318
(partial model without unconserved sides chains):
PDB file :
Tito_3IN7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IN7-query.scw
PDB file :
Tito_Scwrl_3IN7.pdb
: