Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFDFMTLEKVREKGPLVHNITNIVVANDSANGLLAIGASPIMASAKEEMDELAKMADVLVINIGTLDGELVTAMKIAGRAANVAGTPVVLDPVGVGATSYRRKVVQELLAEIQFAAIRGNAGELAAIAGEAWEAKGVDAGVGSADVLSIAGKVANEWSTVVIISGEVDVISDGTRFAKVANGSALLPRITGSGCLLSAVCGSFIAVQDDAFRASVEACASYAVASEYAEMELERKLPGSFRPLFLDALASWSVEKTRAKAKIQESGEHK
3HPD Chain:A ((4-263))
--IIEALKRVRERRPLVHNITNFVVMNTTANALLALGASPVMAHAEEELEEMIRLADAVVINIGTLDSGWRRSMVKATEIANELGKPIVLDPVGAGATKFRTRVSLEILS-RGVDVLKGNFGEISALLGEEG---------GEEEAKKLTMNAAREFNTTVAVTGAVDYVSDGRRTFAVYNGHELLGRVTGTGCMVAALTGAFVAVT-EPLKATTSALVTFGIAAEKAYEE--AKYPGSFHVKLYDWLYRINENVIRTYAKVREV----
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) -174641 for 2341 contacts (-74.6/contact) +
2D Compatibility (PS) -27228 + (NN) -10366 + (LL) 1108
1D Compatibility (HY) -17600 + (ID) 5500
Total energy: -234227.0 ( -100.05 by residue)
QMean score : 0.561
(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
: