Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMDLSQRLAGRVAVITGGGSGIGLAAGRRMRAEGATIVVGDVDVEAGGAAADELSGLFVPTDVCDEDAVNGLFDGAAETYGRIDIAFNNAGISPPEDNLIENTELAAWQRVQDVNLKSVYLCCRAALRHMVLAGKGSIVNTASFVAVMGSATSQISYTASKGGVLAMSRELGVQFARQGIRVNALCPGPVNTPLLQELFAKNPERAARRMVHVPLGRFAEPDEIAAAVAFLASDDASFITASTFLVDGGISSAYVTPL
4WEC Chain:C ((26-278))
-----QRLAGKVAVITGGASGIGLATGRRLRAEGATVVVGDIDPTTGKAAADELEGLFVPVDVSEQEAVDNLFDTAASTFGRVDIAFNNAGISPPEDDLIENTDLPAWQRVQDINLKSVYLSCRAALRHMVPAGKGSIINTASFVAVMGSATSQISYTASKGGVLAMSRELGVQYARQGIRVNALCPGPVNTPLLQELFAKDPERAARRLVHIPLGRFAEPEELAAAVAFLASDDASFITGSTFLVDGGISSAYVTPL
General information:
TITO was launched using:
RESULT:
Template:
4WEC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142014 for 2208 contacts (-64.3/contact) +
2D Compatibility (PS) -27601 + (NN) -8289 + (LL) 488
1D Compatibility (HY) -30000 + (ID) 10850
Total energy: -218266.0 ( -98.85 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_4WEC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WEC-query.scw
PDB file :
Tito_Scwrl_4WEC.pdb
: