Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMDLSQRLAGRVAVITGGGSGIGLAAGRRMRAEGATIVVGDVDVEAGGAAADELSGLFVPTDVCDEDAVNGLFDGAAETYGRIDIAFNNAGISPPEDNLIENTELAAWQRVQDVNLKSVYLCCRAALRHMVLAGKGSIVNTASFVAVMGSATSQISYTASKGGVLAMSRELGVQFARQGIRVNALCPGPVNTPLLQELFAKNPERAARRMVHVPLGRFAEPDEIAAAVAFLASDDASFITASTFLVDGGISSAYVTPL
4WEC Chain:A ((25-278))
----TQRLAGKVAVITGGASGIGLATGRRLRAEGATVVVGDIDPTTGKAAADELEGLFVPVDVSEQEAVDNLFDTAASTFGRVDIAFNNAGISPPEDDLIENTDLPAWQRVQDINLKSVYLSCRAALRHMVPAGKGSIINTASFVAVMGSATSQISYTASKGGVLAMSRELGVQYARQGIRVNALCPGPVNTPLLQELFAKDPERAARRLVHIPLGRFAEPEELAAAVAFLASDDASFITGSTFLVDGGISSAYVTPL
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) -134203 for 2215 contacts (-60.6/contact) +
2D Compatibility (PS) -27565 + (NN) -7664 + (LL) 516
1D Compatibility (HY) -30000 + (ID) 10850
Total energy: -209766.0 ( -94.70 by residue)
QMean score : 0.572
(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
: