Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHSSWHDLIKRELPNHYYNKINTFMDAVYESGIVY-PPRDKVFNAIQITPLENVKVVIIGQDPYHGPQQAQGLSFSV-PDNLPAPPSLQNILKELAEDIGSR--SHHDLTSWAQQGVLLLNACLTVPEHQANGHAGLIWEPFTDAVIKVVNQKETPVVFILWGGYARKKKSLIDNPIHHIIESPHPSPLSAYRGFFGSRPFSRTNHFLEEEGINEIDWLN
4WS2 Chain:A ((39-235))
---------------------MGQFLRAEIAAGRRYLPAGSNVLRAFTF-PFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRL
General information:
TITO was launched using:
RESULT:
Template:
4WS2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106288 for 1529 contacts (-69.5/contact) +
2D Compatibility (PS) -21044 + (NN) -12970 + (LL) 1252
1D Compatibility (HY) -15600 + (ID) 4700
Total energy: -159350.0 ( -104.22 by residue)
QMean score : 0.529
(partial model without unconserved sides chains):
PDB file :
Tito_4WS2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WS2-query.scw
PDB file :
Tito_Scwrl_4WS2.pdb
: