Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRRITLNSNFMFGASDIKSLPNESAPEIAFAGRSNVGKSSLINLLINSKKAARVSSKPGCTRQINFYSMYNDKFRLVDLPGYGCSHASKDETIQYLGLVEYYLIHRRNLRRVFVLIDSKVRLKEIDKDFIYWLTYNNINFDVVLTKIDKVDRENLDAIIESTRKWINN--ESVSIRQISVRVKYEMTKVRDEFFKFTR
1PUI Chain:A ((11-197))
----------FVMSAPDIRHLPSDTGIEVAFAGRSNAGKSSALNTLTNQ-------------QLINLFEV-ADGKRLVDLPGYG------EMKRKWQRALGEYLEKRQSLQGLVVLMDIRHPLKDLDQQMIEWAVDSNIAVLVLLTKADKLASGARKAQLNMVREAVLAFNGDVQVETFSSLKKQGVDKLRQKLDTWFS
General information:
TITO was launched using:
RESULT:
Template:
1PUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121380 for 1296 contacts (-93.7/contact) +
2D Compatibility (PS) -17676 + (NN) -4821 + (LL) 1700
1D Compatibility (HY) -10000 + (ID) 3000
Total energy: -155177.0 ( -119.74 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_1PUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PUI-query.scw
PDB file :
Tito_Scwrl_1PUI.pdb
: