Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVSNATLKEAVDVLKKTGVRITPQRHAILEFLINSHTHPTADDIYRALEGNFPNMSVATVYNNLRVFRDAGLIKELSYGDASSRFDFSTSNHYHAICNVCGKIVDFHYPGLDEVEHFAAHMTGYEIDNHRLEVYGICPACKEKQSNN
2FE3 Chain:A ((6-144))
-------LKEALETLKETGVRITPQRHAILEYLVNSMAHPTADDIYKALEGKFPNMSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTSDHYHAICENCGKIVDFHYPGLDEVEQLAAHVTGFKVSHHRLEIYGVCQECSKKEN--
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) -91058 for 875 contacts (-104.1/contact) +
2D Compatibility (PS) -15278 + (NN) -8331 + (LL) 472
1D Compatibility (HY) -18000 + (ID) 5250
Total energy: -137445.0 ( -157.08 by residue)
QMean score : 0.550
(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
: