Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRDQKLKFLVVDALFAVIIALLAQVAIPLGPIPLTGQTFAIGLAATILGARHGTISVLVYIVLGAVGIPVFQGMTAGIGIIFGPTGGFIIGFIFNAFLTGWLLEKTKFTVPYAIVANILGAI-VTLIFGVLWLKVSTGLDWPTAFLTGMVPFIIPGIIKAVFAALLGIIIRDRLIKAKLLRAS
4HUQ Chain:S ((10-173))
----DTLSMVTMGVLMALQLVISRFSVGNNFIKVSFTFLIVALIAKWFGPWWGMLTAAVVDVIGTLMTG------------GPFFIGFTVSAVLGSLIYAVFLYRQPVSWWRVIGASVLIALLVNTLLNTLWVTIMYQTPFWSLLPVRALKELIV---TPVQIVLVYLLLKSQVIQMIQARLN
General information:
TITO was launched using:
RESULT:
Template:
4HUQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146244 for 1165 contacts (-125.5/contact) +
2D Compatibility (PS) -16960 + (NN) -5874 + (LL) 1532
1D Compatibility (HY) -13200 + (ID) 1200
Total energy: -181946.0 ( -156.18 by residue)
QMean score : 0.267
(partial model without unconserved sides chains):
PDB file :
Tito_4HUQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HUQ-query.scw
PDB file :
Tito_Scwrl_4HUQ.pdb
: