Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIAKMIDHTALKPDTTKEQILTLTKEAREYGFASVCVNPTWVKLSAEQLAGAESVVCTVIGFPLGANTPEVKAFEVKDAIQNGAKEVDMVINIGALKDKDDELVERDIRAVVDVAKGKALVKVIIETCLLTDEEKVRACEIAVKAGTDFVKTSTGFSTGGATAEDIALMRKTVGPNIGVKASGGVRTKEDVEKMIEAGATRIGASAGVAIVSGEKPAKPDNY
1UB3 Chain:A ((2-212))
-DLAAHIDHTLLKPTATLEEVAKAAEEALEYGFYGLCIPPSYVAWVRARYPHAPFRLVTVVGFPLGYQEKEVKALEAALACARGADEVDMVLHLGRAKAGDLDYLEAEVRAVREAVPQA-VLKVILETGYFSPEEIARLAEAAIRGGADFLKTSTGFGPRGASLEDVALLVRVAQGRAQVKAAGGIRDRETALRMLKAGASRLGTSSGVALVA----------
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) -105683 for 1927 contacts (-54.8/contact) +
2D Compatibility (PS) -23824 + (NN) -12900 + (LL) 212
1D Compatibility (HY) -15200 + (ID) 4500
Total energy: -161895.0 ( -84.01 by residue)
QMean score : 0.669
(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
: