Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPLEIPTKYDSLLKKKVSLKTSFTFMLIIVLIIWSFIYTGFNFGDLMIGIPQIGDLFKQMIPPDFEYLQQITTPMLDTIRMAIVSTVLGSIVSIPIALLC----ASNIVHQKWISIPSRFILNIVRTIPDLLLAAIFVAVFG------IGQIPGILALFILTICIIGKLLYESLETIDPGPMEAMTAVGANKIKWIVFGVVPQAISSFMSYVLYAFEVNIRASAVLGLVGAGGIGLFYDQTLGLFQYPKTATIILFTLVIVVVIDYISTKVRAHLA
3DHW Chain:A ((6-208))
-------------------------------------------------------------------MWLLVRGVWETLAMTFVSGFFGFVIGLPVGVLLYVTRPGQIIANAKLYRTVSAIVNIFRSIPFIILLVWMIPFTRVIVGTSIGLQAAIVPLTVGAAPFIARMVENALLEIPTGLIEASRAMGATPMQIVRKVLLPEALPGLVNAATITLITLVGYSAMGGAVGAGGLGQIGYQYGY--IGYNATVMNTVLVLLVILVYLIQFAGD----
General information:
TITO was launched using:
RESULT:
Template:
3DHW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -174768 for 1420 contacts (-123.1/contact) +
2D Compatibility (PS) -19339 + (NN) 1725 + (LL) 5992
1D Compatibility (HY) -18000 + (ID) 2100
Total energy: -206490.0 ( -145.42 by residue)
QMean score : 0.319
(partial model without unconserved sides chains):
PDB file :
Tito_3DHW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DHW-query.scw
PDB file :
Tito_Scwrl_3DHW.pdb
: