Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTIDISAGTIHYEATGPETGRPVVFVHGYMMGGQLWRRVSERLAGRGLRCIAPTWPLGAHPKPLRPGADQTIGGVAGIVADVLAALELKDVVLVGNDTG-GVVTQLVAVHYPERLGALVLTSCDAFEHFPPPILKPVIL-------AAKSATLFRAAIQVMRAPAARNRAYAGL--SHHNIDH-----LTRAWVRPALSNPAIAEDLRQLSLSLRTEVTTAVAARLPEFDKPALIAWSADDVFFALENGQR-LAATIPRARFEVIEGARTFSMVDSPDRLADQLSTVAVRT
1BRT Chain:A ((15-255))
----------LYYEDHG--TGQPVVLIHGFPLSGHSWERQSAALLDAGYRVI--TYDRRGFGQSSQPTTGYDYDTFAADLNTVLETLDLQDAVLVGFSTGTGEVARYVSSYGTARIAKVAFLAS----------LEPFLLKTDDNPDGAAPQEFFDGIVAAVKAD--RYAFYTGFFNDFYNLDENLGTRISEEAVRNSWNTAASG--GFFAAAAAPTTWYTDFRADIPRIDVPALILHGTGDRTLPIENTARVFHKALPSAEYVEVEGA-----------------------
General information:
TITO was launched using:
RESULT:
Template:
1BRT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -177800 for 1855 contacts (-95.8/contact) +
2D Compatibility (PS) -24069 + (NN) -10326 + (LL) 2788
1D Compatibility (HY) -13200 + (ID) 3400
Total energy: -226007.0 ( -121.84 by residue)
QMean score : 0.415
(partial model without unconserved sides chains):
PDB file :
Tito_1BRT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BRT-query.scw
PDB file :
Tito_Scwrl_1BRT.pdb
: