Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKPIIAGNWKMNKTAAKAGQFAEDVKNNVPSSDAVESVVAAPALFLQELVRLTEGTDLRVSAQNCYFEDEGAFTGEISPFALADLGVSYVIIGHSERREYFHETDEDINKKAHAIFKHGMTPIICCGETLDQREAGQTDTWVRGQIRAALAGLTEEQVIKSVIAYEPIWAIGTGKSSTSADANETCAVIRAEVADAVSQKAADAVRIQYGGSVKPENIADYLAESDIDGALVGGASLEPASFLALLEAVK
2I9E Chain:B ((3-245))
-RKFVVGGNWKMNGDKKQINEIIGFLKSG-PLNQDTEVVVGVPAIYL-ELVRTCVPASIGVAAQNCYKVPKGAFTGEISPAMIKDVGADWVILGHSERRQIFGESDELIAEKVCHALESGLKVIACIGETLEEREAGKTEEVVFRQTKAIAAKVNDWSNV--VIAYEPVWAIGTGKTATPQQAQDVHKALRQWICENIDAKVGNSIRIQYGGSVTAANCKELASQPDIDGFLVGGASLKP-EFVDIINA--
General information:
TITO was launched using:
RESULT:
Template:
2I9E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106799 for 2104 contacts (-50.8/contact) +
2D Compatibility (PS) -26882 + (NN) -13422 + (LL) 956
1D Compatibility (HY) -19200 + (ID) 5350
Total energy: -170697.0 ( -81.13 by residue)
QMean score : 0.483
(partial model without unconserved sides chains):
PDB file :
Tito_2I9E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I9E-query.scw
PDB file :
Tito_Scwrl_2I9E.pdb
: