Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGDLKLRPLEREDLKFVHRLNNDAKIMSYWFEEPYEAFVELQELYDKHIHDQSERRFILELDGQMVGLVELMEIDYIHRRAEFQIIIDPKFQGHGYAVSATKLAMKYAFHVLNMHKLYLVVDKVNEKAIHVYEKVGFIREGELIDEFFVDGTYHDAIRMCIFQHQYREMDI
3WR7 Chain:A ((2-168))
---SVKLRPLEREDLRYVHQLDNNASVMRYWFEEPYEAFVELSDLYDKHIHDQSERRFVVECDGEKAGLVELVEINHVHRRAEFQIIISPEYQGKGLATRAAKLAMDYGFTVLNLYKLYLIVDKENEKAIHIYRKLGFSVEGELMHEFFINGQYRNAIRMCIFQHQYLAE--
General information:
TITO was launched using:
RESULT:
Template:
3WR7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115147 for 1202 contacts (-95.8/contact) +
2D Compatibility (PS) -17667 + (NN) -5684 + (LL) 136
1D Compatibility (HY) -22800 + (ID) 5750
Total energy: -166912.0 ( -138.86 by residue)
QMean score : 0.575
(partial model without unconserved sides chains):
PDB file :
Tito_3WR7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WR7-query.scw
PDB file :
Tito_Scwrl_3WR7.pdb
: