Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANL-GVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLSRG-FLGSGVFTSVQKAYREVYRKDFDFSL
2BOO Chain:A ((21-240))
------ANLPEDWQEALLPEFSAPYFHELTD-FLRQERKEYTIYPPAPDVFNALRYTPLGEVKVLILGQDPYHGP---NQ-----AHGLSFSVRPGVRVPPSLRNIYKELTEDIPGFVAPKHGYLRSWAEQGVLLLNAVLTVRAGQANSHQGKGWEHFTDAVIKAVNAKEERVVFILWGSYARKKKKLITGKNHVVIESGHPSPLSEQYFFGTRPFSKTNEALEKAGRGPVEWQL
General information:
TITO was launched using:
RESULT:
Template:
2BOO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138501 for 1781 contacts (-77.8/contact) +
2D Compatibility (PS) -23445 + (NN) -9912 + (LL) 1520
1D Compatibility (HY) -18400 + (ID) 4450
Total energy: -193188.0 ( -108.47 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_2BOO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BOO-query.scw
PDB file :
Tito_Scwrl_2BOO.pdb
: