Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNKYYDSNNIFAQILRGELPCKKVYEDEDVLAFYDKYPDAPVHILVVPKSQYISYDDFIFKASAEEIVGFFKTV-REITYKYNLEKTGYRLVTNCGENGEQVVPHFHMHILGGKRLGKHVNL
3N1S Chain:E ((5-111))
---------TIFSKIIRREIPSDIVYQDDLVTAFRDISPQAPTHILIIPNILIPTVND--VSAEHEQALGRMITVAAKIAEQEGIAEDGYRLIMNTNRHGGQEVYHIHMHLLGGRPLGPMLA-
General information:
TITO was launched using:
RESULT:
Template:
3N1S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71138 for 741 contacts (-96.0/contact) +
2D Compatibility (PS) -11805 + (NN) -9653 + (LL) 564
1D Compatibility (HY) -7200 + (ID) 2200
Total energy: -101432.0 ( -136.89 by residue)
QMean score : 0.653
(partial model without unconserved sides chains):
PDB file :
Tito_3N1S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N1S-query.scw
PDB file :
Tito_Scwrl_3N1S.pdb
: