Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKRPIHLSHDFLAEVIDKEAITLDATMGNGNDTVFLAKSSKKVYAFDIQEEAIAKTKAKLTEQGISNAELILDGHENLEQYVHTPLRAAIFN--LGYLPSADKTVITKPHTTIKAIKNVLDILEVGGRLSLMVYYGHDGG----------------KSEKDAVIAFVEQLPQNNFATMLYQPLNQVNTPPFLIMVEKLQSYENEV
1XXL Chain:A ((19-174))
----------------CRAEHRVLDIGAGAGHTALAFSPYVQECIGVDATKEMVEVASSFAQEKGVENVRFQQGTAESLP-FPDDSFDIITCRYAAHHFSD-----------VRKAVREVARVLKQDGRFLLVDHYAPEDPVLDEFVNHLNRLRDPSHVRESSLSEWQAMFSANQLAYQDIQKWNLPIQYDSWIKRGGTPADREKQ
General information:
TITO was launched using:
RESULT:
Template:
1XXL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45628 for 1035 contacts (-44.1/contact) +
2D Compatibility (PS) -14362 + (NN) -1554 + (LL) 2320
1D Compatibility (HY) -3600 + (ID) 1150
Total energy: -63974.0 ( -61.81 by residue)
QMean score : 0.368
(partial model without unconserved sides chains):
PDB file :
Tito_1XXL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XXL-query.scw
PDB file :
Tito_Scwrl_1XXL.pdb
: