Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANL-GVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLS--RGFLGSGVFTSVQKAYREVYRKDFDFSL
3TKB Chain:A ((7-220))
-----------SWKKHLSGEFGKPYFIKLMGFVAEERKH-YTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGP---NQ-----AHGLCFSVQRPVPPPPSLENIYKELSTDIEGFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDWRE
General information:
TITO was launched using:
RESULT:
Template:
3TKB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127563 for 1675 contacts (-76.2/contact) +
2D Compatibility (PS) -22565 + (NN) -11882 + (LL) 1608
1D Compatibility (HY) -14800 + (ID) 4450
Total energy: -179652.0 ( -107.25 by residue)
QMean score : 0.608
(partial model without unconserved sides chains):
PDB file :
Tito_3TKB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TKB-query.scw
PDB file :
Tito_Scwrl_3TKB.pdb
: