Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKGIILAGGSGTRLYPLTKAISKQMLPIYDKPMIYYPLSILMLAGIKDILIISTPEDTPRFEQLLADSDQLGINISYAVQEKPEGLAQAFIIAEDFIGDDSVSLILGDNIYYGQGLSKMLQRASAKKAGATVFGYHVNDPERFGVVEFDESMKAISIEEKPTEPKSNYAVTGLYFYDNRVVEIAKSIKPSERGELEITDVNKRYLELGELDVELMGRGFAWLDTGTHESLLEASTFIETIERRQNLKIACLEEIAYRMGYIDEAAVEKLAEPLKKNAYGQYLMKLINK
1H5R Chain:B ((5-287))
-KGIILAGGSGTRLYPVTMAVSKQLLPIYDKPMIYYPLSTLMLAGIRDILIISTPQDTPRFQQLLGDGSQWGLNLQYKVQPSPDGLAQAFIIGEEFIGGDDCALVLGDNIFYGHDLPKLMEAAVNKESGATVFAYHVNDPERYGVVEFDKNGTAISLEEKPLEPKSNYAVTGLYFYDNDVVQMAKNLKPSARGELEITDINRIYLEQGRLSVALMGRGYAWLDTGTHQSLIEASNFIATIEERQGLKVSCPEEIAFRKGFIDVEQVRKLAVPLIKNNYGQYLYK----
General information:
TITO was launched using:
RESULT:
Template:
1H5R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -200481 for 2327 contacts (-86.2/contact) +
2D Compatibility (PS) -30332 + (NN) -13549 + (LL) 572
1D Compatibility (HY) -37600 + (ID) 10150
Total energy: -291540.0 ( -125.29 by residue)
QMean score : 0.654
(partial model without unconserved sides chains):
PDB file :
Tito_1H5R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1H5R-query.scw
PDB file :
Tito_Scwrl_1H5R.pdb
: