Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLILCRHGQSEWNAKNLFTGWEDVNLSEQGINEATRAGEKVRENNIAIDVAFTSLLTRALDTTHYILTESKQQWIPVYKSWRLNERHYGGLQGLNKDDARKEFGEEQVHIWRRSYDVKPPAETEEQREAYLADRRYNHLDKRMMPYSESLKDTLVRVIPFWTDHISQYLLDGQTVLVSAHGNSIRALIKYLEDVSDEDIINYEIKTGAPLVYELTDDLEVIDKYYL
3KKK Chain:A ((4-230))
-YTLVLLRHGESTWNKENKFTGWTDVPLSEKGEEEAIAAGKYLKEKNFKFDVVYTSVLKRAICTAWNVLKTADLLHVPVVKTWRLNERHCGSLQGLNKSETAKKYGEEQVKIWRRSYDIPPPKLDKEDNRWPGHNVVYKNVPKDALPFTECLKDTVERVLPFWFDHIAPDILANKKVMVAAHGNSLRGLVKHLDNLSEADVLELNIPTGVPLVYELDENLKPIKHYYL
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) -89643 for 1872 contacts (-47.9/contact) +
2D Compatibility (PS) -24078 + (NN) -3593 + (LL) 208
1D Compatibility (HY) -22400 + (ID) 5550
Total energy: -145056.0 ( -77.49 by residue)
QMean score : 0.406
(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
: