Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGYITMETLNSINIPKRKEDSHKGDYGKILLIGGSANLGGAIMLAARACVFSGSGLITVATHPTNHSALHSRCPEAMVIDINDTK------MLTKMIEMT---DSILIGPGLGVDFKGNNAITFLLQNIQPHQNLIVDGDAITIFSKLKPQLPTCRVIFTPHLKEWERLSGIPIEE--QTYERNREAVDRLGATVVLKKHGTEIFFKDEDFKLTIGSPAMATGGMGDTLAGMITSFVGQFDNLKEAVMSATYTHSFIGENLAKDMYVVPPSRLINEIPYAMKQLES
3RRE Chain:A ((223-501))
----ITREMVRSL-LPERPRDSHKGTYGKVLIIAGSRLYSGAPVLSGMGSLKVGTGLVKLAVPFPQNLIATSRFPELISVPIDTEKGFFSLQNLQECLELSKDVDVVAIGPGLGNNEHVREFVNEFLKTLE--KPAVIDADAINVLDTSVLKERKSPAVLTPHPGEMARLVKKTVGDVKYNYELAEEFAKENDCVLVLKSATTIVTDGEKTLFNITGNTGLSKGGSGDVLTGMIAGFIAQGLSPLEASTVSVYLHGFAAELFEQDERGLTASELLRLIPEAIRRLK-
General information:
TITO was launched using:
RESULT:
Template:
3RRE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -202153 for 2482 contacts (-81.4/contact) +
2D Compatibility (PS) -29186 + (NN) -10995 + (LL) -248
1D Compatibility (HY) -11200 + (ID) 4100
Total energy: -257882.0 ( -103.90 by residue)
QMean score : 0.530
(partial model without unconserved sides chains):
PDB file :
Tito_3RRE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RRE-query.scw
PDB file :
Tito_Scwrl_3RRE.pdb
: