Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVSNATLKEAVDVLKKTGVRITPQRHAILEFLINSHTHPTADDIYRALEGNFPNMSVATVYNNLRVFRDAGLIKELSYGDASSRFDFSTSNHYHAICNVCGKIVDFHYPGLDEVEHFAAHMTGYEIDNHRLEVYGICPACKEKQSNN
2FE3 Chain:A ((5-144))
------ELKEALETLKETGVRITPQRHAILEYLVNSMAHPTADDIYKALEGKFPNMSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTSDHYHAICENCGKIVDFHYPGLDEVEQLAAHVTGFKVSHHRLEIYGVCQECSKKEN--
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) -90270 for 886 contacts (-101.9/contact) +
2D Compatibility (PS) -15443 + (NN) -8879 + (LL) 420
1D Compatibility (HY) -18000 + (ID) 5250
Total energy: -137422.0 ( -155.10 by residue)
QMean score : 0.561
(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
: