Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequence-----------------------MAFDAARYVHR-YYASL-A----------PAPGNEYPRLRAWEYLWEYVWDPSRSWDDLTAPEQLDTTALHLGFYLANWGMFRGS-SGLLQNSNLDLMKALARQLFSGAGPELFELSLV--DFAGNGARLAHNRKLLETVLGSMDALSSRVSWTDTLKSKILLGVWGEFPALDRHYVAAC-RALYPRRGLTSVNGGTLTALHRLIGEERLSFPRLE---TARKGLLYPTGRLADMAFF-QYGLENA------------------------------------------------------------------------
2NRJ Chain:A ((2-341))LSEIEQTNNGDTALSANEARMKETLQKAGLFAKSMNAYSYMLIKNPDVNFEGITINGYVDLPGRIVQDQKNARAHAVTWDT-KVKKQLLDTLNGIVEYDTTFDNYYETMVEAINTGDGETLKEGITDLRGEIQQNQKYAQQLIEELTKLRDSIGHDVRAFGSNKELLQSILKNQGADVDADQKRLEEVLGSVNYYKQLEGFNVMKG--AILGLPIIGGIIVGVARDNLGKLEPLLAELRQTVDYKVTLNRVVGVAYSNINEMHKALDDAINALTYMSTQWHDLDSQYSGVLGHIENAAQKADQNKFKFLKPNLNAAKDSWKTLRTDAVTLKEGIKELKVET


General information:
TITO was launched using:
RESULT:

Template: 2NRJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -7909 for 1498 contacts (-5.3/contact) +
2D Compatibility (PS) -23435 + (NN) -8193 + (LL) 444
1D Compatibility (HY) 9600 + (ID) 800
Total energy: -30293.0 ( -20.22 by residue)
QMean score : 0.132

(partial model without unconserved sides chains):
PDB file : Tito_2NRJ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2NRJ-query.scw
PDB file : Tito_Scwrl_2NRJ.pdb: