Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGLTATEALMKMKEKGYKHTDKREFLINLLARKNKYLTAKDVLENMKDDFPGISFDTIYRNLSLFVELGIFEET---DLSGERNFRLACTHEHHHHHFICMKCGKTKEIMMCPMD---FLTEALPGYQIDGHKFEVYGECPECLQAS
2FE3 Chain:A ((8-139))
------EALETLKETGVRITPQRHAILEYLVNSMAHPTADDIYKALEGKFPNMSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTS-----DHYHAICENCGKIVDFHYPGLDEVEQLAAHVTGFKVSHHRLEIYGVCQEC----
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) -54588 for 782 contacts (-69.8/contact) +
2D Compatibility (PS) -13710 + (NN) -5239 + (LL) 1172
1D Compatibility (HY) -9200 + (ID) 2150
Total energy: -83715.0 ( -107.05 by residue)
QMean score : 0.552
(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
: