Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEVNILDKKWYSIVEDPKGFTLNIINASLKELKIDQYKPNISI--------ALADDNLLHQLNLRFRQMNKPTNVLSFPCEQLSSECDLGDIAISIDTVRKESDEYHIPIPAHVAHMLVHGLLHLLGYDHQKKGEEVVMKNLEGKILASLGYNMCAI
2WGR Chain:A ((7-78))
---------SWNSIYE----FTVKDINGV--DVSLEKYRGHVCLIVNVACKSGATDKNYRQLQEMHTRLVGKGLRILAFPCNQFGGQEPWAEAEIKKFVTEKYGVQFDMFSKIKVNGSDADDLYKFLKSRQHGTLTNNIKWNFSKFLVDRQGQPVKRY
General information:
TITO was launched using:
RESULT:
Template:
2WGR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -9883 for 294 contacts (-33.6/contact) +
2D Compatibility (PS) -6671 + (NN) -1409 + (LL) 884
1D Compatibility (HY) -5200 + (ID) 900
Total energy: -23179.0 ( -78.84 by residue)
QMean score : 0.153
(partial model without unconserved sides chains):
PDB file :
Tito_2WGR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WGR-query.scw
PDB file :
Tito_Scwrl_2WGR.pdb
: