Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVQKSFKSNTHYGTLYLVPTPIGNLDDMTFRAIRILREVDFICAEDTRNTGLLLKHFDITTKQISFHEHNAYDKISGLIDLLKEGRSLAQVSDAGMPSISDPGHDLVKAAIEGGIPVVSIPGASAGITALIASGLAPQPHIFYGFLPRKKGQQITFFETKKDYPETQIFYESPFRVSDTLKHMKEIYGD-RQVVLVRELTKLYEEYQRGTISQLLGHIEKVPLKGECLIIVDGKRDTERVKDSSQQDPLVLVKEYIANGDKTNQAIKKVAKELNLNRQELYASFHDL
3KWP Chain:A ((14-241))
----------TG-GHLYLVPTPIGNLDDMTFRAVKTLTAVDLIAAEDTRNTQKLLNHFEITTKQISFHEHNTQERIPQLIAKLKQGMQIAQVSDAGMPSISDPGHELVNACIDAHIPVVPLPGANAGLTALIASGLAPQPFYFYGFLDRKPKDRKAEIAGLAQRPETLIFYEAPHRLKKTLQNLAAGFGDERPAVLCRELTKRYEEFLRGSLAELANWAATDTVRGEFVVLVGGNPAPT-------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3KWP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144632 for 1796 contacts (-80.5/contact) +
2D Compatibility (PS) -24611 + (NN) -10360 + (LL) 4432
1D Compatibility (HY) -20000 + (ID) 6600
Total energy: -201771.0 ( -112.34 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_3KWP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KWP-query.scw
PDB file :
Tito_Scwrl_3KWP.pdb
: