Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRKPLIAGNWKMNLNHYEAIALVQKIAFSLPDKYYDRVDVAVIPPFTDLRSVQTLVDGDKLRLTYGAQDLSPHDSGAYTGDVSGAFLAKLGCSYVVVGHSERRTYHNEDDALVAAKAATALKHGLTPIVCIGEHLDVREAGNHVAHNIEQLRGSLAGLLAEQIGSVVIAYEPVWAIGTGRVASAADAQEVCAAIRKELASLASP--RIADTVRVLYGGSVNAKNVGDIVAQDDVDGGLVGGASLDGEHFATLAAIAAGGPLP
4YMZ Chain:A ((2-251))
-ARKTIIAGNWKMNLSLKEAVFLAHSIREKIP-SISKDKVSMVFPSTLHLENVSKILE--GSSVIVGAQNCYHSGLAAFTGETSPDQLKEIGVKVVMVGHSERRQFLGESNFFCNDKIRFLLKNEFTVLYCVGETLSERESGKTLEVLSSQIREGLKGIDSVFFSNLILAYEPVWAIGTGKVATPSQAQEVHSFIRKEISGLFVGASSISESISILYGGSVKPDNIQDLLKEKDIDGGLVGGASQKISSFAGLF---------
General information:
TITO was launched using:
RESULT:
Template:
4YMZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162096 for 2105 contacts (-77.0/contact) +
2D Compatibility (PS) -27418 + (NN) -17896 + (LL) 72
1D Compatibility (HY) -21200 + (ID) 4850
Total energy: -233388.0 ( -110.87 by residue)
QMean score : 0.531
(partial model without unconserved sides chains):
PDB file :
Tito_4YMZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMZ-query.scw
PDB file :
Tito_Scwrl_4YMZ.pdb
: