Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNDLETLKHIIDSSNRITFFTGAGVSVASGVPDFRSMGGLFDEISKDGLSPEYLLSRDYLEDDPEGFINFCHKRLL-FVDTKPNIVHDWIAKLERNQQSLGVITQNIDGLHSDAGSQHVDELHGTLNRFYCNACHKSYTKSDVIDRT----LKHCDNCGGAIRPDIVLYGEMLDQPTIIRALNKIEHADTLVVLGSSLVVQPAA--GLISHFKGDNLIIINKDRTPYDSDATLVIHDDMVSVVKSLMTE
4BV2 Chain:A ((9-242))
----------LLNESRLTVTLTGAGISTPSGIPDF---------YSQN------VFDIDFFYSHPEEFYRFAKEGIFPMLQAKPNLAHVLLAKLEEKGLIEAVITQNIDRLHQRAGSKKVIELHGNVEEYYCVRCEKKYTVEDVIKKLESSDVPLCDDCNSLIRPNIVFFGENLPQDALREAIGLSSRASLMIVLGSSLVVYPAAELPLITVRSGGKLVIVNLGETPFDDIATLKYNMDVVEFARRVMEE
General information:
TITO was launched using:
RESULT:
Template:
4BV2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -118110 for 1809 contacts (-65.3/contact) +
2D Compatibility (PS) -22851 + (NN) -2845 + (LL) 1072
1D Compatibility (HY) -22400 + (ID) 4600
Total energy: -169734.0 ( -93.83 by residue)
QMean score : 0.449
(partial model without unconserved sides chains):
PDB file :
Tito_4BV2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BV2-query.scw
PDB file :
Tito_Scwrl_4BV2.pdb
: