Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDVNNVELIISAVRPEQYPETDLPEYALAGRSNVGKSSFINTMIRRKSMARISQKPGKTQTLNFYKIEEALFFVDVPGYGFAKVSKTEREKWGVMIETYITSREQLRGVIQIVDLRHKPTEDDRMMYEFLKYYDIPVIVIATKADKIPRSKWQKNAKIVRET-LDFDPDDKFVLFSSETKMGKDEAWQFIKEGME
1PUI Chain:A ((11-191))
-------FVMSAPDIRHLPSDTGIEVAFAGRSNAGKSSALNTLTNQ-------------QLINLFEVADGKRLVDLPGYG------EMKRKWQRALGEYLEKRQSLQGLVVLMDIRHPLKDLDQQMIEWAVDSNIAVLVLLTKADKLASGARKAQLNMVREAVLAFNGDVQVETFSSLKKQGVDKLRQ-------
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) -87920 for 1231 contacts (-71.4/contact) +
2D Compatibility (PS) -17302 + (NN) -6603 + (LL) 2324
1D Compatibility (HY) -9200 + (ID) 2850
Total energy: -121551.0 ( -98.74 by residue)
QMean score : 0.472
(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
: