Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARASGASDYRSGELSHQDERGAAHMVDITEKATTKRTAVAAGILRTSAQVVALISTGGLPKGDALATARVAGIMAAKRTSDLIPLCHQLALTGVDVDFTV--GQLDIEITATVRSTDRTGVEMEALTAVSVAALTLYDMIKAVDPGALIDDIRVLHKEGGRRGTWTRR
4PYD Chain:D ((5-155))
---------------THINAAGEAHMVDVSAKAETVREARAEAFVTMRSETLAMIIDGRHHKGDVFATARIAGIQAAKRTWDLIPLCHPLMLSKVEVNLQAEPEHNRVRIETLCRLTGKTGVEMEALTAASVAALTIYDMCKAVQKDMVIGPVRLLAKSGGK--DF---
General information:
TITO was launched using:
RESULT:
Template:
4PYD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80321 for 1128 contacts (-71.2/contact) +
2D Compatibility (PS) -16075 + (NN) -10077 + (LL) 888
1D Compatibility (HY) -12800 + (ID) 3650
Total energy: -122035.0 ( -108.19 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_4PYD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PYD-query.scw
PDB file :
Tito_Scwrl_4PYD.pdb
: