Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQIIEGKLQLQGNEKIAILTSRFNHIITDRLKEGAMDCFKRHGGDEELLDLVLVPGAYELPLILDKLLESGKYDGVCVLGAIIRGGTPHFDYVSAEATKGIASAMLKYSMPVSFGVLTTDNIEQAIERAGSKAGNKGFEAMSTLIELLSLCQTLKD
1NQX Chain:C ((1-154))
MQIYEGKLTAEGL-RFGIVASRFNHALVDRLVEGAIDCIVRHGGREEDITLVRVPGSWEIPVAAGELARKEDIDAVIAIGVLIRGATPHFDYIASEVSKGLANLSLELRKPITFGVITADTLEQAIERAGTKHGNKGWEAALSAIEMANLFKSLR-
General information:
TITO was launched using:
RESULT:
Template:
1NQX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108533 for 1299 contacts (-83.6/contact) +
2D Compatibility (PS) -17164 + (NN) -9883 + (LL) 28
1D Compatibility (HY) -12800 + (ID) 3900
Total energy: -152252.0 ( -117.21 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_1NQX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NQX-query.scw
PDB file :
Tito_Scwrl_1NQX.pdb
: