Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKLVFARHGESEWNKANLFTGWADVDLSEKGTQQAIDAGKLIQAAGIEFDLAFTSVLKRAIKTTNLALEAADQLWVPVEKSWRLNERHYGGLTGKNKAEAAEQFGDEQVHIWRRSYDVLPPDMAKDDEHSAHTDRRYASLDDSVIPDAENLKVTLERALPFWEDKIAPALKDGKNVFVGAHGNSIRALVKHIKQLSDDEIMDVEIPNFPPLVFEFDEKLNLVSEYYLGK
3KKK Chain:A ((4-231))
-YTLVLLRHGESTWNKENKFTGWTDVPLSEKGEEEAIAAGKYLKEKNFKFDVVYTSVLKRAICTAWNVLKTADLLHVPVVKTWRLNERHCGSLQGLNKSETAKKYGEEQVKIWRRSYDIPPPKLDKEDNRWPGHNVVYKNVPKDALPFTECLKDTVERVLPFWFDHIAPDILANKKVMVAAHGNSLRGLVKHLDNLSEADVLELNIPTGVPLVYELDENLKPIKHYYLL-
General information:
TITO was launched using:
RESULT:
Template:
3KKK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80102 for 1882 contacts (-42.6/contact) +
2D Compatibility (PS) -24476 + (NN) -4400 + (LL) 272
1D Compatibility (HY) -22800 + (ID) 5900
Total energy: -137406.0 ( -73.01 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_3KKK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKK-query.scw
PDB file :
Tito_Scwrl_3KKK.pdb
: