Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRRITLNSNFMFGASDIKSLPNESAPEIAFAGRSNVGKSSLINLLINSKKAARVSSKPGCTRQINFYSMYNDKFRLVDLPGYGCSHASKDETIQYLGLVEYYLIHRRNLRRVFVLIDSKVRLKEIDKDFIYWLTYNNINFDVVLTKIDKVDRENLDAIIESTRKWINNESVSIRQISVRVKYEMTKVRDEFFKFTR
1PUI Chain:B ((12-150))
-----------VMSAPDIRHLPSDTGIEVAFAGRSNAGKSSALNTLTN--------------QLINLFEVADGK-RLVDLPGY----------RKWQRALGEYLEKRQSLQGLVVLMDIRHPLKDLDQQMIEWAVDSNIAVLVLLTKADKLASGARKAQLNMVREAVLAFNGDVQVETFSSLKKQGVDKLRQKLDTW
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) -81868 for 813 contacts (-100.7/contact) +
2D Compatibility (PS) -12113 + (NN) -2436 + (LL) 1752
1D Compatibility (HY) -8800 + (ID) 2550
Total energy: -106015.0 ( -130.40 by residue)
QMean score : 0.460
(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
: