Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRKPFIAGNWKMNKNPEEAKAFIEAVASKLPSSELVEAGIAAPALTLSTVLEAAKGSELKIAAQNSYFENSGAFTGENSPKVLAEMGTDYVVIGHSERRDYFHETDQDINKKAKAIFANGLTPIICCGESLETYEAGKAVEFVGAQVSAALAGLSEEQVSSLVIAYEPIWAIGTGKSATQDDAQNMCKAVRDVVAADFGQAVADKVRVQYGGSVKPENVAEYMACPDVDGALVGGASLEAESFLALLDFVK
2I9E Chain:D ((2-244))
-ARKFVVGGNWKMNGDKKQINEIIGFLKSG-PLNQDTEVVVGVPAIYLELVRTCVPAS-IGVAAQNCYKVPKGAFTGEISPAMIKDVGADWVILGHSERRQIFGESDELIAEKVCHALESGLKVIACIGETLEEREAGKTEEVVFRQTKAIAAKVNDW--SNVVIAYEPVWAIGTGKTATPQQAQDVHKALRQWICENIDAKVGNSIRIQYGGSVTAANCKELASQPDIDGFLVGGASLKPE-FVDIINARQ
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) -102952 for 2082 contacts (-49.4/contact) +
2D Compatibility (PS) -26981 + (NN) -14757 + (LL) 772
1D Compatibility (HY) -19200 + (ID) 5250
Total energy: -168368.0 ( -80.87 by residue)
QMean score : 0.544
(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
: