Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLVVDDSSTMRRIIKNTLSRLGYEDVLEAEHGVEAWEKLDANADTKVLITDWNMPEMNGLDLVKKVRADNRFKEIPIIMITTEGGKAEVITALKAGVNNYIVKPFTPQVLKEKLEVVLGTND
4HNS Chain:A ((5-123))
MKILIVDDFSTMRRIVKNLLRDLGFNNTQEADDGLTALPML-KKGDFDFVVTDWNMPGMQGIDLLKNIRADEELKHLPVLMITAEAKREQIIEAAQAGVNGYIVKPFTAATLKEKLDKIFE---
General information:
TITO was launched using:
RESULT:
Template:
4HNS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71490 for 937 contacts (-76.3/contact) +
2D Compatibility (PS) -13187 + (NN) -8200 + (LL) -276
1D Compatibility (HY) -14400 + (ID) 3050
Total energy: -110603.0 ( -118.04 by residue)
QMean score : 0.710
(partial model without unconserved sides chains):
PDB file :
Tito_4HNS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HNS-query.scw
PDB file :
Tito_Scwrl_4HNS.pdb
: