Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKILIVNSIYYTEIANLLLEGATD---KLKGSNASYNVIEVPGAFEIPAAILFAVKSKHFNYDGYLALGCVIRGETDHYQYICKGVIKGLNEVVMHNTVPLGMGVITADSKDKALVRADKDKKNIGGRTASAVLHMIDLYNKLR
1NQX Chain:E ((17-154))
-----IVASRFNHALVDRLVEGAIDCIVRHGGREEDITLVRVPGSWEIPVAA--GELARKEDIDAVIAIGVLIRGATPHFDYIASEVSKGLANLSLELRKPITFGVITADTLEQAIERAGTKHGNKGWEAALSAIEMANLFKSLR
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) -97977 for 1072 contacts (-91.4/contact) +
2D Compatibility (PS) -14410 + (NN) -5651 + (LL) 932
1D Compatibility (HY) -8400 + (ID) 2350
Total energy: -127856.0 ( -119.27 by residue)
QMean score : 0.411
(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
: