Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKELRQKRPLVHNITNYVVAQFVANGLLALGVSPLMSDAIAEMPDLAKISDALAINIGTLN---ERTILCAKEAIKRYKALNKPIVLDPVGCSASALRYDTSLELLESKGISTLRGNAAELGSLVGISCESKGLDSKH-SATPIEIVKRAAQKYSVIAVMTGKTDYVSDGKKVLSITGGSEYLAAITGAGCLHAAACASFLSLKKDPLDSMVQLCAFYKQAAFSAQKKALENNGSNGSFLFYFLDALSLPIELENSLIKEEL
3HPD Chain:A ((8-246))
-LKRVRERRPLVHNITNFVVMNTTANALLALGASPVMAHAEEELEEMIRLADAVVINIGTLDSGWRRSMVKATEIANE---LGKPIVLDPVGAGATKFRTRVSLEIL-SRGVDVLKGNFGEISALLGEEG---------GEEEAKKLTMNAAREFNTTVAVTGAVDYVSDGRRTFAVYNGHELLGRVTGTGCMVAALTGAFVAV-TEPLKATTSALVTFGIAA----EKAYEEAKYPGSFHVKLYDWLYRINENVIRTYAKVR
General information:
TITO was launched using:
RESULT:
Template:
3HPD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155876 for 2074 contacts (-75.2/contact) +
2D Compatibility (PS) -24800 + (NN) -12788 + (LL) 1192
1D Compatibility (HY) -14800 + (ID) 4650
Total energy: -211722.0 ( -102.08 by residue)
QMean score : 0.488
(partial model without unconserved sides chains):
PDB file :
Tito_3HPD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HPD-query.scw
PDB file :
Tito_Scwrl_3HPD.pdb
: