Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEVKDILKTVDHTLLATTATWPEIQTILDDAMAYETASACIPASYVKKA-AEYVSGKLAICTVIGFPNGYSTTAAKVFECQDAIKNGADEIDMVINLTDVKNGDFDTVEEEIRQIKAACQDHILKVIVETCQLTKEELIELCGVVTRSGADFIKTSTGFSTAGATFEDVEVMAKYVGEGVKIKAAGGISSLEDAEKFIALGASRLGTSRIIKIVKNQKVEEGTY
1UB3 Chain:C ((2-211))
----DLAAHIDHTLLKPTATLEEVAKAAEEALEYGFYGLCIPPSYVAWVRARYPHAPFRLVTVVGFPLGYQEKEVKALEAALACARGADEVDMVLHLGRAKAGDLDYLEAEVRAVREAVPQAVLKVILETGYFSPEEIARLAEAAIRGGADFLKTSTGFGPRGASLEDVALLVRVAQGRAQVKAAGGIRDRETALRMLKAGASRLGTSSGVALV----------
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) -148808 for 1911 contacts (-77.9/contact) +
2D Compatibility (PS) -23094 + (NN) -6404 + (LL) 1108
1D Compatibility (HY) -15600 + (ID) 4400
Total energy: -197198.0 ( -103.19 by residue)
QMean score : 0.509
(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
: