Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNKYYDSNNIFAQILRGELPCKKVYEDEDVLAFYDKYPDAPVHILVVPKSQYISYDDFIFKASAEEIVGFFKTV-REITYKYNLEKTGYRLVTNCGENGEQVVPHFHMHILGGKRLGKHVNL
3N1S Chain:A ((5-111))
---------TIFSKIIRREIPSDIVYQDDLVTAFRDISPQAPTHILIIPNILIPTVND--VSAEHEQALGRMITVAAKIAEQEGIAEDGYRLIMNTNRHGGQEVYHIHMHLLGGRPLGPMLAH
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) -70150 for 739 contacts (-94.9/contact) +
2D Compatibility (PS) -11765 + (NN) -9637 + (LL) 500
1D Compatibility (HY) -7200 + (ID) 2200
Total energy: -100452.0 ( -135.93 by residue)
QMean score : 0.664
(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
: