Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
GSHMLEMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK
3ERN Chain:B ((6-162))
-----EMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIK---
General information:
TITO was launched using:
RESULT:
Template:
3ERN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113806 for 1286 contacts (-88.5/contact) +
2D Compatibility (PS) -17593 + (NN) -10566 + (LL) 488
1D Compatibility (HY) -21200 + (ID) 7850
Total energy: -170527.0 ( -132.60 by residue)
QMean score : 0.786
(partial model without unconserved sides chains):
PDB file :
Tito_3ERN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ERN-query.scw
PDB file :
Tito_Scwrl_3ERN.pdb
: