Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARASGASDYRSGELSHQDERGAAHMVDITEKATTKRTAVAAGILRTSAQVVALISTGGLPKGDALATARVAGIMAAKRTSDLIPLCHQLALTGVD--VDFTVGQLDIEITATVRSTDRTGVEMEALTAVSVAALTLYDMIKAVDPGALIDDIRVLHKEGGRRGTWTRR
3JQJ Chain:C ((9-155))
---------------------GRPRMVDVTEKPETFRTATAEAFVELTEEALSALEKGGVGKGDPLVVAQLAGILAAKKTADLIPLCHPLPLTGVEVRVELLKAEKRVRIEATVKTKAETGVEMEAMTACAVAALTVYDMLKAASKGLVISQVRLLHKAGGKSGEWRR-
General information:
TITO was launched using:
RESULT:
Template:
3JQJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76957 for 1133 contacts (-67.9/contact) +
2D Compatibility (PS) -15521 + (NN) -7345 + (LL) 1072
1D Compatibility (HY) -13600 + (ID) 3650
Total energy: -116001.0 ( -102.38 by residue)
QMean score : 0.416
(partial model without unconserved sides chains):
PDB file :
Tito_3JQJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JQJ-query.scw
PDB file :
Tito_Scwrl_3JQJ.pdb
: