Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYKIIAIDIDGTLLNDTHEITPAVRDSIKAAKAKGVKVVLCTGRPLAGIKKSLIELDLLDEGDYAITFNGAVVLETASEKTLADITLNKTELEEIYAFCHAEN-VNVTYFDGKNMYVPSRKITEITCQDSLLLGTP-LYHLPVEEAPESIHVSKVMLL-DSPEKITDVIKKLPENIKEKFYVVRSVPYNLEFLQKGVNKGSALASLADKLGVDQSEVMSIGDQENDITMIEYAGMGVAMGNATEHIKEIANY--TTTTNNEDGVAQAIQMLILDR
3PGV Chain:A ((21-284))
-YQVVASDLDGTLLSPDHFLTPYAKETLKLLTARGINFVFATGRHYIDVGQIRDNLGI---RSYMITSNGARVHDS-DGQQIFAHNLDRDIAADLFEIVRNDPKIVTNVYREDEWYMNRHR-----FFKEAVFNYKLYEPGELD--P--QGISKVFFTCEDHEHLLPLEQAMNARWGDRVNVSFSTLTCLEVMAGGVSKGHALEAVAKMLGYTLSDCIAFGDGMNDAEMLSMAGKGCIMANAHQRLKDLHPELEVIGSNADDAVPRYLRKLYL--
General information:
TITO was launched using:
RESULT:
Template:
3PGV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141310 for 2144 contacts (-65.9/contact) +
2D Compatibility (PS) -28262 + (NN) -11635 + (LL) 1520
1D Compatibility (HY) -17600 + (ID) 3200
Total energy: -200487.0 ( -93.51 by residue)
QMean score : 0.569
(partial model without unconserved sides chains):
PDB file :
Tito_3PGV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PGV-query.scw
PDB file :
Tito_Scwrl_3PGV.pdb
: