Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARASGASDYRSGELSHQDERGAAHMVDITEKATTKRTAVAAGILRTSAQVVALISTGGLPKGDALATARVAGIMAAKRTSDLIPLCHQLALTGVD--VDFTVGQLDIEITATVRSTDRTGVEMEALTAVSVAALTLYDMIKAVDPGALIDDIRVLHKEGGRRGTWTRR
2IDE Chain:I ((10-155))
----------------------RPRMVDVTEKPETFRTATAEAFVELTEEALSALEKGGVGKGDPLVVAQLAGILAAKKTADLIPLCHPLPLTGVEVRVELLKAEKRVRIEATVKTKAETGVEMEAMTACAVAALTVYDMLKAASKGLVISQVRLLHKAGGKSGEWRR-
General information:
TITO was launched using:
RESULT:
Template:
2IDE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74944 for 1126 contacts (-66.6/contact) +
2D Compatibility (PS) -15699 + (NN) -8700 + (LL) 900
1D Compatibility (HY) -13600 + (ID) 3600
Total energy: -115643.0 ( -102.70 by residue)
QMean score : 0.417
(partial model without unconserved sides chains):
PDB file :
Tito_2IDE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IDE-query.scw
PDB file :
Tito_Scwrl_2IDE.pdb
: