Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELIGDKSTVQQAIHALQLIGFENVKSYRLPQTNIVTSSIHSSEMT-----GEEHNVLDVRNDDEWRKGHLKQAIHIPHGKLLNEDIPFDKNDLIYVHCQSGVRSSIAVGILEYKGFTNIVNVRGGYQHLPAFLK
3IWH Chain:A ((3-96))
--------------------------------------SITTDELKNKLLESKPVQIVDVRTDEETAMGYIPNAKLIPMDTIPDNLNSFNKNEIYYIVCAGGVRSAKVVEYLEANGID-AVNVEGGMHAWGDE--
General information:
TITO was launched using:
RESULT:
Template:
3IWH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -49354 for 642 contacts (-76.9/contact) +
2D Compatibility (PS) -9543 + (NN) -2110 + (LL) 3288
1D Compatibility (HY) -6000 + (ID) 1500
Total energy: -65219.0 ( -101.59 by residue)
QMean score : 0.376
(partial model without unconserved sides chains):
PDB file :
Tito_3IWH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IWH-query.scw
PDB file :
Tito_Scwrl_3IWH.pdb
: