Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANLGVPV-PCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLS--RGFLGSGVFTSVQKAYREVYRKDFDFSL
1UGH Chain:E ((88-301))
-----------SWKKHLSGEFGKPYFIKLMGFVAEERKH-YTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGP---NQ-----AHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDWKE
General information:
TITO was launched using:
RESULT:
Template:
1UGH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129231 for 1677 contacts (-77.1/contact) +
2D Compatibility (PS) -22404 + (NN) -10502 + (LL) 1608
1D Compatibility (HY) -14800 + (ID) 4450
Total energy: -179779.0 ( -107.20 by residue)
QMean score : 0.606
(partial model without unconserved sides chains):
PDB file :
Tito_1UGH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1UGH-query.scw
PDB file :
Tito_Scwrl_1UGH.pdb
: