Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARASGASDYRSGELSHQDERGAAHMVDITEKATTKRTAVAAGILRTSAQVVALISTGGLPKGDALATARVAGIMAAKRTSDLIPLCHQLALTGVDVDFTVGQLDIEITATVRSTDRTGVEMEALTAVSVAALTLYDMIKAVDPGALIDDIRVLHKEGGRRGTWTRR
4FDF Chain:A ((22-167))
---------------------GAAHMVDIT-----KRTAVAAGILRTSAQVVALISTGGLPKGDALATARVAGIMAAKRTSDLIPLCHQLALTGVDVDFTVGQLDIEITATVRSTDRTGVEMEALTAVSVAALTLYDMIKAVDPGALIDDIRVLHKE-------TRR
General information:
TITO was launched using:
RESULT:
Template:
4FDF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83495 for 1031 contacts (-81.0/contact) +
2D Compatibility (PS) -14467 + (NN) -8854 + (LL) 1280
1D Compatibility (HY) -18000 + (ID) 6500
Total energy: -130036.0 ( -126.13 by residue)
QMean score : 0.394
(partial model without unconserved sides chains):
PDB file :
Tito_4FDF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4FDF-query.scw
PDB file :
Tito_Scwrl_4FDF.pdb
: