Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
1YQN Chain:A ((3-158))
-MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGMGLGIACEAVALLIK
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) -108066 for 1316 contacts (-82.1/contact) +
2D Compatibility (PS) -17233 + (NN) -10083 + (LL) 208
1D Compatibility (HY) -14000 + (ID) 4750
Total energy: -153924.0 ( -116.96 by residue)
QMean score : 0.548
(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
: