Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLVVDDSSTMRRIIKNTLSRLGYEDVLEAEHGVEAWEKLDANADTKVLITDWNMPEMNGLDLVKKVRADNRFKEIPIIMITTEGGKAEVITALKAGVNNYIVKPFTPQVLKEKLEVVLGTND
4LX8 Chain:A ((5-123))
MKILIVDDFSTMRRIVKNLLRDLGFNNTQEADDGLTALPML-KKGDFDFVVTDWNMPGMQGIDLLKNIRADEELKHLPVLMITAEAKREQIIEAAQAGVNGYIVKPFTAATLKEKLDKIFE---
General information:
TITO was launched using:
RESULT:
Template:
4LX8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74211 for 932 contacts (-79.6/contact) +
2D Compatibility (PS) -13301 + (NN) -8509 + (LL) -276
1D Compatibility (HY) -14400 + (ID) 3050
Total energy: -113747.0 ( -122.05 by residue)
QMean score : 0.667
(partial model without unconserved sides chains):
PDB file :
Tito_4LX8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LX8-query.scw
PDB file :
Tito_Scwrl_4LX8.pdb
: