Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVSSASLAGKVAFVQGGSRGIGAAIVRRLAAEGASVAFTYVSSADKSRALAAELEGAGASILALHADSADAAALVAAVDEAAARFGRIDILVNNAAVLALGSVEELPLADFERTLAINVRSVFVATQAAV---KHMGDGGRVISIGSTNAERMPFAGGATYAMSKSALVGLTKGLARDLGPRGITVNNVQPGPVDTDMNPD-DGDFAEA-----------LKGLMALPRYARSEEIASFVAYLAGPEAAYITGASLTIDGGFSA
1GEG Chain:C ((3-253))
----------KVALVTGAGQGIGKAIALRLVKDGFAVAIADYNDA-TAKAVASEINQAGGHAVAVKVDVSDRDQVFAAVEQARKTLGGFDVIVNNAGVAPSTPIESITPEIVDKVYNINVKGVIWGIQAAVEAFKKEGHGGKIIN-ACSQAGHVGNPELAVYSSSKFAVRGLTQTAARDLAPLGITVNGYCPGIVKTPMWAEIDRQVSEAAGKPLGYGTAEFAKRITLGRLSEPEDVAACVSYLASPDSDYMTGQSLLIDGGMVF
General information:
TITO was launched using:
RESULT:
Template:
1GEG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113798 for 2094 contacts (-54.3/contact) +
2D Compatibility (PS) -26082 + (NN) -15367 + (LL) 708
1D Compatibility (HY) -18800 + (ID) 4700
Total energy: -178039.0 ( -85.02 by residue)
QMean score : 0.610
(partial model without unconserved sides chains):
PDB file :
Tito_1GEG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GEG-query.scw
PDB file :
Tito_Scwrl_1GEG.pdb
: