Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANLGVPV-PCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLS--RGFLGSGVFTSVQKAYREVYRKDFDFSL
1Q3F Chain:A ((7-220))
-----------SWKKHLSGEFGKPYFIKLMGFVAEERKH-YTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGP---NQ-----AHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDWKE
General information:
TITO was launched using:
RESULT:
Template:
1Q3F.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127744 for 1725 contacts (-74.1/contact) +
2D Compatibility (PS) -22543 + (NN) -9851 + (LL) 1608
1D Compatibility (HY) -14800 + (ID) 4450
Total energy: -177780.0 ( -103.06 by residue)
QMean score : 0.591
(partial model without unconserved sides chains):
PDB file :
Tito_1Q3F.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Q3F-query.scw
PDB file :
Tito_Scwrl_1Q3F.pdb
: