Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
GSHMLEMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK
3T80 Chain:B ((4-159))
------MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKL----------ADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIACEAVALLMK---
General information:
TITO was launched using:
RESULT:
Template:
3T80.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107699 for 1244 contacts (-86.6/contact) +
2D Compatibility (PS) -16285 + (NN) -7494 + (LL) 512
1D Compatibility (HY) -20400 + (ID) 7200
Total energy: -158566.0 ( -127.46 by residue)
QMean score : 0.649
(partial model without unconserved sides chains):
PDB file :
Tito_3T80.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3T80-query.scw
PDB file :
Tito_Scwrl_3T80.pdb
: