Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
GSHMLEMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK
1YQN Chain:A ((2-158))
-----EMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGMGLGIACEAVALLIK---
General information:
TITO was launched using:
RESULT:
Template:
1YQN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106566 for 1323 contacts (-80.5/contact) +
2D Compatibility (PS) -17591 + (NN) -10003 + (LL) 488
1D Compatibility (HY) -21200 + (ID) 7750
Total energy: -162622.0 ( -122.92 by residue)
QMean score : 0.724
(partial model without unconserved sides chains):
PDB file :
Tito_1YQN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YQN-query.scw
PDB file :
Tito_Scwrl_1YQN.pdb
: