Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDQIISALIFPCLLVILFARITYNRYVGLLLMVILIAASAKLGYTSSMWLIIIDAFSMTIGFVLATYMLRRLKKSGSDF
2H3O Chain:A ((37-68))
--------------------------------------SALTGYLDYVLLPALAIFIGLTIYAIQRKRQA---------
General information:
TITO was launched using:
RESULT:
Template:
2H3O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -7359 for 155 contacts (-47.5/contact) +
2D Compatibility (PS) -3041 + (NN) 2436 + (LL) 5016
1D Compatibility (HY) 400 + (ID) 100
Total energy: -2648.0 ( -17.08 by residue)
QMean score : -0.464
(partial model without unconserved sides chains):
PDB file :
Tito_2H3O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2H3O-query.scw
PDB file :
Tito_Scwrl_2H3O.pdb
: