Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHSSWHDLIKRELPNHYYNKINTFMDAVYESGIVY-PPRDKVFNAIQITPLENVKVVIIGQDPYHGPQQAQGLSFSV-PDNLPAPPSLQNILKELAEDIGSR--SHHDLTSWAQQGVLLLNACLTVPEHQANGHAGLIWEPFTDAVIKVVNQKETPVVFILWGGYARKKKSLIDNPIHHIIESPHPSPLSAYRGFFGSRPFSRTNHFLEEEGINEIDWLN
4WS3 Chain:A ((39-235))
---------------------MGQFLRAEIAAGRRYLPAGSNVLRAFTF-PFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRL
General information:
TITO was launched using:
RESULT:
Template:
4WS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103142 for 1505 contacts (-68.5/contact) +
2D Compatibility (PS) -21113 + (NN) -13740 + (LL) 1252
1D Compatibility (HY) -15600 + (ID) 4700
Total energy: -157043.0 ( -104.35 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_4WS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WS3-query.scw
PDB file :
Tito_Scwrl_4WS3.pdb
: