Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHSSWHDLIKRELPNHYYNKINTFMDAVYESGIVYPPRDKVFNAIQITPLENVKVVIIGQDPYHGPQQAQGLSFSVPDNLPAPPSLQNILKELAEDIGSR---SHHDLTSWAQQGVLLLNACLTVPEHQANGHAGLIWEPFTDAVIKVVNQKETPVVFILWGGYARKKKSLIDNPIHHIIESPHPSPLSAYRGFFGSRPFSRTNHFLEEEGINEIDWLN
2OXM Chain:A ((7-220))
----SWKKHLSGEFGKPYFIKLMGFVAEERKHYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDWKE
General information:
TITO was launched using:
RESULT:
Template:
2OXM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111114 for 1725 contacts (-64.4/contact) +
2D Compatibility (PS) -22510 + (NN) -13425 + (LL) 288
1D Compatibility (HY) -21200 + (ID) 5550
Total energy: -173511.0 ( -100.59 by residue)
QMean score : 0.502
(partial model without unconserved sides chains):
PDB file :
Tito_2OXM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OXM-query.scw
PDB file :
Tito_Scwrl_2OXM.pdb
: