Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAAGVRSTRQRAAISTLLETLDDFRSAQELHDELRRRGENIGLTTVYRTLQSMASSGLVDTLHTDTGESVYRRCSEHHHHHLVCRSCGSTIEV---GDHEVEAWAAEVATKHGFSDVSHTIEIFGTCSDCRS
2FE3 Chain:A ((13-139))
LKETGVRITPQRHAILEYLVNSMAHPTADDIYKALEGKFPNMSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTS-DHYHAICENCGKIVDFHYPGLDEVEQLAAHVT---GFKVSHHRLEIYGVCQEC--
General information:
TITO was launched using:
RESULT:
Template:
2FE3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -47220 for 755 contacts (-62.5/contact) +
2D Compatibility (PS) -14133 + (NN) -8878 + (LL) 276
1D Compatibility (HY) -10800 + (ID) 2100
Total energy: -82855.0 ( -109.74 by residue)
QMean score : 0.562
(partial model without unconserved sides chains):
PDB file :
Tito_2FE3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FE3-query.scw
PDB file :
Tito_Scwrl_2FE3.pdb
: