Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKRAIYPGTFDPITNGHIDIVTRATQMFDHVILAIAASPSKKPMFTLEERVALAQQATAHLGNVEVVGFSDLMANFARNQHATVLIRGLRAVADFEYEMQLAHMNRHLMPELESVFLMPSKEWSFISSSLVKEVARHQGDVTHFLPENVHQALMAKLA
3PXU Chain:A ((8-162))
----AVYPGTFDPLTRGHEDLVRRASSIFDTLVVGVADSRAKKPFFSLEERLKIANEVLGHYPNVKVMGFTGLLKDFVRANDARVIVRGLRA---FEYEFQMAGMNRYLLPDVETMFMTPSDQYQFISGTIVREIAQLGGDVSKFVFPSVEKWLTEKVA
General information:
TITO was launched using:
RESULT:
Template:
3PXU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123491 for 1155 contacts (-106.9/contact) +
2D Compatibility (PS) -16476 + (NN) -9252 + (LL) 752
1D Compatibility (HY) -19600 + (ID) 3650
Total energy: -171717.0 ( -148.67 by residue)
QMean score : 0.759
(partial model without unconserved sides chains):
PDB file :
Tito_3PXU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PXU-query.scw
PDB file :
Tito_Scwrl_3PXU.pdb
: