Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDAKFDFAKLLVYKAGQFIKSEMQNTFDVEEKSRFDDLVTSLDKKTQKLLIQEIIQHYPDDNILAEEDDV---RSPIAQGNVWVLDPIDGTVNFIVQKDNFAVMLAYYEEGVGQFGIIYDVMADILYSGGGHFDVYANDKKI-VPFQECPLERCLLGVNSAMYAENDCGIAHLASETL------GVRIYGGAGISMAKVMQGKLLAYFSY-IQPWDYAAAKIMGETLGFTLLTLDGEEPNYSTRQKVMFLPKSKLNLIQSYLTKK
2BJI Chain:A ((9-251))
----MDYAVTLAGQAGEVVREALKNEMNIMVKSSPADLVTATDQKVEKMLITSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHGFPFVAVSIGFVVNKKMEFGIVYSCLEDKMYTGRKGKGAFCNGQKLQVSHQEDITKSLLVTELGSSRTPETVRIILSNIERLLCLPIHGIRGVGTAALNMCLVAAGAADAYYEMGIHCWDVAGAGIIVTEAGGVLLDVTGGPFDLMSRRVIASSNKTLAERIAKEIQII
General information:
TITO was launched using:
RESULT:
Template:
2BJI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135351 for 1916 contacts (-70.6/contact) +
2D Compatibility (PS) -25528 + (NN) -12669 + (LL) 340
1D Compatibility (HY) -14400 + (ID) 3500
Total energy: -191108.0 ( -99.74 by residue)
QMean score : 0.475
(partial model without unconserved sides chains):
PDB file :
Tito_2BJI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BJI-query.scw
PDB file :
Tito_Scwrl_2BJI.pdb
: