Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
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) -113915 for 1337 contacts (-85.2/contact) +
2D Compatibility (PS) -17034 + (NN) -10762 + (LL) 272
1D Compatibility (HY) -14000 + (ID) 4800
Total energy: -160239.0 ( -119.85 by residue)
QMean score : 0.554
(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
: