Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VIKSQKSFSGTSQGALYLVPTPIGNLEDMTFRAIRMLKEADIIAAEDTRNTVKLLNHFEITTRMTSYHQFTKENKEDNIIQRMLGGEVVALVSDAGMPSISDPGYELVQSALDANIPVIPLPGANAALTALIASGLAPQPFYFYGFLPRQNKERTQAIEKLAAREETWILYESPHRLKETLKAIIKITGNDRKIVLCRELTKRFEEFLRGTVEDALNWAMDEEIRGEFCLIIEGNSNPQLAEEQLWWQELDIKTHVSTVMEQENVSSKDAIKTVMKARNLPKREVYSAYHEIK
3KWP Chain:A ((14-241))
-----------TGGHLYLVPTPIGNLDDMTFRAVKTLTAVDLIAAEDTRNTQKLLNHFEITTKQISFHEHNTQERIPQLIAKLKQGMQIAQVSDAGMPSISDPGHELVNACIDAHIPVVPLPGANAGLTALIASGLAPQPFYFYGFLDRKPKDRKAEIAGLAQRPETLIFYEAPHRLKKTLQNLAAGFGDERPAVLCRELTKRYEEFLRGSLAELANWAATDTVRGEFVVLVGGNPAPT------------------------------------------------------
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) -157257 for 1807 contacts (-87.0/contact) +
2D Compatibility (PS) -25080 + (NN) -13598 + (LL) 5688
1D Compatibility (HY) -20800 + (ID) 6900
Total energy: -217947.0 ( -120.61 by residue)
QMean score : 0.654
(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
: