Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
GSHMLEMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK
1U40 Chain:A ((1-155))
------MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLI----
General information:
TITO was launched using:
RESULT:
Template:
1U40.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -118563 for 1337 contacts (-88.7/contact) +
2D Compatibility (PS) -17154 + (NN) -10237 + (LL) 656
1D Compatibility (HY) -21200 + (ID) 7750
Total energy: -174248.0 ( -130.33 by residue)
QMean score : 0.762
(partial model without unconserved sides chains):
PDB file :
Tito_1U40.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1U40-query.scw
PDB file :
Tito_Scwrl_1U40.pdb
: