Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNDLETLKHIIDSSNRITFFTGAGVSVASGVPDFRSMGGLFDEISKDGLSPEYLLSRDYLEDDPEGFINFCHKRLL-FVDTKPNIVHDWIAKLERNQQSLGVITQNIDGLHSDAGSQHVDELHGTLNRFYCNACHKSYTKSDVIDRT----LKHCDNCGGAIRPDIVLYGEMLDQPTIIRALNKIEHADTLVVLGSSLVVQPAA--GLISHFKGDNLIIINKDRTPYDSDATLVIHDDMVSVVKSLMTE
3D81 Chain:A ((9-242))
----------LLNESRLTVTLTGAGISTPSGIPDF-----------QN------VFDIDFFYSHPEEFYRFAKEGIFPMLQAKPNLAHVLLAKLEEKGLIEAVITQNIDRLHQRAGSKKVIELHGNVEEYYCVRCEKKYTVEDVIKKLESSDVPLCDDCNSLIRPNIVFFGENLPQDALREAIGLSSRASLMIVLGSSLVVYPAAELPLITVRSGGKLVIVNLGETPFDDIATLKYNMDVVEFARRVMEE
General information:
TITO was launched using:
RESULT:
Template:
3D81.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113177 for 1802 contacts (-62.8/contact) +
2D Compatibility (PS) -22850 + (NN) -5662 + (LL) 1248
1D Compatibility (HY) -22000 + (ID) 4550
Total energy: -166991.0 ( -92.67 by residue)
QMean score : 0.440
(partial model without unconserved sides chains):
PDB file :
Tito_3D81.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3D81-query.scw
PDB file :
Tito_Scwrl_3D81.pdb
: