Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFEKYIDHTLLKPESTRTQIDQIIDEAKAYNFKSVCVNPTHVKYAAERLADSEVLVCTVIGFPLGASTTATKAFETEDAIQNGADEIDMVINIGALKDGRFDDVQQDIEAVVKAAKGHTVKVIIETVLLDHDEIVKASELTKAAGADFVKTSTGFAGGGATAEDVKLMKDTVGADVEVKASGGVRNLEDFNKMVEAGATRIGASAGVQIMQGLEADSDY
1UB3 Chain:D ((2-212))
-DLAAHIDHTLLKPTATLEEVAKAAEEALEYGFYGLCIPPSYVAWVRARYPHAPFRLVTVVGFPLGYQEKEVKALEAALACARGADEVDMVLHLGRAKAGDLDYLEAEVRAVREAVPQAVLKVILETGYFSPEEIARLAEAAIRGGADFLKTSTGFGPRGASLEDVALLVRVAQGRAQVKAAGGIRDRETALRMLKAGASRLGTSSGVALVA--------
General information:
TITO was launched using:
RESULT:
Template:
1UB3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95569 for 1915 contacts (-49.9/contact) +
2D Compatibility (PS) -23680 + (NN) -9588 + (LL) 372
1D Compatibility (HY) -15600 + (ID) 4100
Total energy: -148165.0 ( -77.37 by residue)
QMean score : 0.615
(partial model without unconserved sides chains):
PDB file :
Tito_1UB3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1UB3-query.scw
PDB file :
Tito_Scwrl_1UB3.pdb
: