Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNDLETLKHIIDSSNRITFFTGAGVSVASGVPDFRSMGGLFDEISKDGLSPEYLLSRDYLEDDPEGFINFCHKRLL-FVDTKPNIVHDWIAKLERNQQSLGVITQNIDGLHSDAGSQHVDELHGTLNRFYCNACHKSYTKSDVIDRT----LKHCDNCGGAIRPDIVLYGEMLDQPTIIRALNKIEHADTLVVLGSSLVVQPAA--GLISHFKGDNLIIINKDRTPYDSDATLVIHDDMVSVVKSLMTE
2H59 Chain:A ((9-242))
----------LLNESRLTVTLTGAGISTPSGIPDFRGPNGIYKKYSQN------VFDIDFFYSHPEEFYRFAKEGIFPMLQAKPNLAHVLLAKLEEKGLIEAVITQNIDRLHQRAGSKKVIELAGNVEEYYCVRCEKKYTVEDVIKKLESSDVPLCDDCNSLIRPNIVFFGENLPQDALREAIGLSSRASLMIVLGSSLVVYPAAELPLITVRSGGKLVIVNLGETPFDDIATLKYNMDVVEFARRVMEE
General information:
TITO was launched using:
RESULT:
Template:
2H59.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107728 for 1894 contacts (-56.9/contact) +
2D Compatibility (PS) -23893 + (NN) -3431 + (LL) 800
1D Compatibility (HY) -22800 + (ID) 4650
Total energy: -161702.0 ( -85.38 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_2H59.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2H59-query.scw
PDB file :
Tito_Scwrl_2H59.pdb
: