Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNLYTERVLSVHHWNDTLFSFKTTRNPGLRFKTGQFVMIGLEVDGRPLMRAYSIASPNYEEHLEFFSI---------KVPDGPLTSRLQHLKEGDELMVSRKPTGTLVHDDLLPGKHLYLLSTGTGMAPFLSVIQDPETYERYEKVILVHGVRWVSELAYADFITKVLPEHEYFGDQVKEKLIYYPLVTREPFRNQ--GRQTDLMRSGKLFEDIGLPPMNPQDDRAMICGSPSMLEETSAVLDSFGLKISPRMGEPGDYLIERAFVEK
2XNJ Chain:B ((12-249))
-ADWVTGKVTKVQNWTDALFSL-TVHAPVLPFTAGQFTKLGLEIDGERVQRAYSYVNSPDNPDLEFYLVTVVYTNDAGEVVKGKLSPRLAALKPGDEVQVVSEAAGFFVLDEVPHCETLWMLATGTAIGPYLSILRLGKDLDRFKNLVLVHAARYAADLSY-------LPLMQELEKRYEGKLRIQTVVSRETAAGSLTGRIPALIESGELESTIGL-PMNKETSHVMLCGNPQMVRDTQQLL--------------------------
General information:
TITO was launched using:
RESULT:
Template:
2XNJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135803 for 1765 contacts (-76.9/contact) +
2D Compatibility (PS) -23920 + (NN) -4686 + (LL) 2140
1D Compatibility (HY) -21600 + (ID) 4100
Total energy: -187969.0 ( -106.50 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_2XNJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XNJ-query.scw
PDB file :
Tito_Scwrl_2XNJ.pdb
: