Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHSSWHDLIKRELPNHYYNKINTFMDAVYESGIVYPPRDKVFNAIQITPLENVKVVIIGQDPYHGPQQAQGLSFSVPDNLPAPPSLQNILKELAEDIGSR---SHHDLTSWAQQGVLLLNACLTVPEHQANGHAGLIWEPFTDAVIKVVNQKETPVVFILWGGYARKKKSLIDNPIHHIIESPHPSPLSAYRGFFGSRPFSRTNHFLEEEGINEIDWLN
3FCL Chain:A ((7-220))
----SWKKHLSGEFGKPYFIKLMGFVAEERKHYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDWKE
General information:
TITO was launched using:
RESULT:
Template:
3FCL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101710 for 1690 contacts (-60.2/contact) +
2D Compatibility (PS) -22371 + (NN) -12030 + (LL) 288
1D Compatibility (HY) -21200 + (ID) 5550
Total energy: -162573.0 ( -96.20 by residue)
QMean score : 0.521
(partial model without unconserved sides chains):
PDB file :
Tito_3FCL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FCL-query.scw
PDB file :
Tito_Scwrl_3FCL.pdb
: