Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGLTATEALMKMKEKGYKHTDKREFLINLLARKNKYLTAKDVLENMKDDFPGISFDTIYRNLSLFVELGIFEETDLSGE-RNFRLACTHEHHHHHFICMKCGKTKEIMMCPMDFLTE---ALPGYQIDGHKFEVYGECPECLQAS
2FE3 Chain:A ((4-142))
--HELKEALETLKETGVRITPQRHAILEYLVNSMAHPTADDIYKALEGKFPNMSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTS---DHYHAICENCGKIVDFHYPGLDEVEQLAAHVTGFKVSHHRLEIYGVCQECSKK-
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) -66418 for 844 contacts (-78.7/contact) +
2D Compatibility (PS) -14686 + (NN) -5486 + (LL) 200
1D Compatibility (HY) -9600 + (ID) 2000
Total energy: -97990.0 ( -116.10 by residue)
QMean score : 0.639
(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
: