Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNDLETLKHIIDSSNRITFFTGAGVSVASGVPDFRSMGGLFDEISKDGLSPEYLLSRDYLEDDPEGFINFCHKRLL-FVDTKPNIVHDWIAKLERNQQSLGVITQNIDGLHSDAGSQHVDELHGTLNRFYCNACHKSYTKSDVIDRT----LKHCDNCGGAIRPDIVLYGEMLDQPTIIRALNKIEHADTLVVLGSSLVVQPAA--GLISHFKGDNLIIINKDRTPYDSDATLVIHDDMVSVVKSLMTE
3JR3 Chain:A ((9-242))
----------LLNESRLTVTLTGAGISTPSGIPDF--------KYSQN------VFDIDFFYSHPEEFYRFAKEGIFPMLQAKPNLAHVLLAKLEEKGLIEAVITQNIDRLHQRAGSKKVIELAGNVEEYYCVRCEKKYTVEDVIKKLESSDVPLCDDCNSLIRPNIVFFGENLPQDALREAIGLSSRASLMIVLGSSLVVYPAAELPLITVRSGGKLVIVNLGETPFDDIATLKYNMDVVEFARRVMEE
General information:
TITO was launched using:
RESULT:
Template:
3JR3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117283 for 1826 contacts (-64.2/contact) +
2D Compatibility (PS) -22884 + (NN) -2498 + (LL) 968
1D Compatibility (HY) -22400 + (ID) 4550
Total energy: -168647.0 ( -92.36 by residue)
QMean score : 0.474
(partial model without unconserved sides chains):
PDB file :
Tito_3JR3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JR3-query.scw
PDB file :
Tito_Scwrl_3JR3.pdb
: