Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-----------PYLKEKSSATVYFQTVKHNNIRDLVRRCITRTSQVLVILMDVFTDVEIFCDILEAANKRGVFVCVLLDQGGVKLFQEMCDKVQISDSHLKNISIRSVEGEIYCAKSGRKFAGQIREKFIISDWRFVLSGSYSFTWLCGHVHRNILSKFTGQAVELFDEEFRHLYASSKPVMGLKSP
1NUE Chain:A ((1-151))
ANLERTFIAIKPDGVQRGLVGEIIKRFEQKGFRLVAMKFLRASEEHLKQHYIDLKDRPFFPGLVKYMNSGPVVAMVWEGLNVVKTGRVMLGETNPADSK----------------------PGTIRGDFCIQVGRNIIHGSDS------------VKSAEKEISLWFKPEELVDYKSCAHDWVYE--
General information:
TITO was launched using:
RESULT:
Template:
1NUE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56972 for 917 contacts (-62.1/contact) +
2D Compatibility (PS) -14708 + (NN) -4091 + (LL) 2232
1D Compatibility (HY) -3600 + (ID) 1300
Total energy: -78439.0 ( -85.54 by residue)
QMean score : 0.209
(partial model without unconserved sides chains):
PDB file :
Tito_1NUE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NUE-query.scw
PDB file :
Tito_Scwrl_1NUE.pdb
: