Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
GSHMLEMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK
3ERN Chain:F ((6-162))
-----EMRIGHGFDVHAFG---PIIIGGVRIPY------HSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIK---
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) -106933 for 1206 contacts (-88.7/contact) +
2D Compatibility (PS) -16625 + (NN) -10187 + (LL) 740
1D Compatibility (HY) -20400 + (ID) 7400
Total energy: -160805.0 ( -133.34 by residue)
QMean score : 0.765
(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
: