Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGYITMETLNSINIPKRKEDSHKGDYGKILLIGGSANLGGAIMLAARACVFSGSGLITVATHPTNHSALHSRCPEAMVIDINDTK------MLTKMIEMT---DSILIGPGLGVDFKGNNAITFLLQNIQPHQNLIVDGDAITIFSKLKPQLPTCRVIFTPHLKEWERLSGIPIEE--QTYERNREAVDRLGATVVLKKHGTEIFFKDEDFKLTIGSPAMATGGMGDTLAGMITSFVGQFDNLKEAVMSATYTHSFIGENLAKDMYVVPPSRLINEIPYAMKQLES
3RU3 Chain:A ((223-501))
----ITREMVRSL-LPERPRDSHKGTYGKVLIIAGSRLYSGAPVLSGMGSLKVGTGLVKLAVPFPQNLIATSRFPELISVPIDTEKGFFSLQNLQECLELSKDVDVVAIGPGLGNNEHVREFVNEFLKTLE--KPAVIDADAINVLDTSVLKERKSPAVLTPHPGEMARLVKKTVGDVKYNYELAEEFAKENDCVLVLKSATTIVTDGEKTLFNITGNTGLSKGGSGDVLTGMIAGFIAQGLSPLEASTVSVYLHGFAAELFEQDERGLTASELLRLIPEAIRRLK-
General information:
TITO was launched using:
RESULT:
Template:
3RU3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -199011 for 2487 contacts (-80.0/contact) +
2D Compatibility (PS) -29095 + (NN) -10860 + (LL) -248
1D Compatibility (HY) -11200 + (ID) 4100
Total energy: -254514.0 ( -102.34 by residue)
QMean score : 0.541
(partial model without unconserved sides chains):
PDB file :
Tito_3RU3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RU3-query.scw
PDB file :
Tito_Scwrl_3RU3.pdb
: