Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNLYTERVLSVHHWNDTLFSFKTTRNPGLRFKTGQFVMIGLEVDGRPLMRAYSIASPNYEEHLEFFSIKVPDGPLTSRLQHLKEGDELMVSRKPTGT-LVHDDLLPGKHLYLLSTGTGMAPFLSVIQDPETYERYEKVILVHGVRWVSELAYADFITKVLPEHEYFGDQVKEKLIYYPLVTREPF--RNQGRQTDLMRSGKLFEDIGLPPMNPQDDRAMICGSPSMLEETSAVLDSFG-LKISPRMGEPGDYLIERAFVEK
1FDR Chain:A ((2-248))
-ADWVTGKVTKVQNWTDALFSLTVHAP-VLPFTAGQFTKLGLEI---RVQRAYSYVNSPDNPDLEFYLVTVPDGKLSPRLAALKPGDEVQVV-SEAAGFFVLDEVPHCETLWMLATGTAIGPYLSILRLGKDLDRFKNLVLVHAARYAADLSYLPLMQELEKRYE-------GKLRIQTVVSRETAAGSLTGRIPALIESGELESTIGL-PMNKETSHVMLCGNPQMVRDTQQLLKETRQMTKH-LRRRPGHMTAEHYW---
General information:
TITO was launched using:
RESULT:
Template:
1FDR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153555 for 2028 contacts (-75.7/contact) +
2D Compatibility (PS) -25897 + (NN) -8486 + (LL) 452
1D Compatibility (HY) -20800 + (ID) 4050
Total energy: -212336.0 ( -104.70 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_1FDR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1FDR-query.scw
PDB file :
Tito_Scwrl_1FDR.pdb
: