Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKGIILAGGSGTRLYPLTKAISKQMLPIYDKPMIYYPLSILMLAGIKDILIISTPEDTPRFEQLLADSDQLGINISYAVQEKPEGLAQAFIIAEDFIGDDSVSLILGDNIYYGQGLSKMLQRASAKKAGATVFGYHVNDPERFGVVEFDESMKAISIEEKPTEPKSNYAVTGLYFYDNRVVEIAKSIKPSERGELEITDVNKRYLELGELDVELMGRGFAWLDTGTHESLLEASTFIETIERRQNLKIACLEEIAYRMGYIDEAAVEKLAEPLKKNAYGQYLMKLINK
4HOC Chain:A ((1-288))
MKGIILSGGSGTRLYPLTKVVSKQLLPVYDKPMVYYPLSVLMLAGIKDILIISTPEDTPRFEQLLGGGSELGISLSYAVQSSPDGLAQAFIIGEEFIGDDNVALVLGDNIFYGHGFTELLQRAANRKSGATIFGYNVKDPQRFGVVEFDEKGKVISIEEKPEEPKSSYAVTGLYFYDNRVVDIAKNITPS--GELEITDVNKAYLELGELHVELLGRGFAWLDTGTHESLLQASQFIETIEKRQSLKVACLEEIAYRMGYISREQLIKLAEPLMKNEYGQYLMNLAHR
General information:
TITO was launched using:
RESULT:
Template:
4HOC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -209752 for 2407 contacts (-87.1/contact) +
2D Compatibility (PS) -30759 + (NN) -16160 + (LL) 204
1D Compatibility (HY) -41200 + (ID) 11100
Total energy: -308767.0 ( -128.28 by residue)
QMean score : 0.651
(partial model without unconserved sides chains):
PDB file :
Tito_4HOC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HOC-query.scw
PDB file :
Tito_Scwrl_4HOC.pdb
: