Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
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) -108348 for 1323 contacts (-81.9/contact) +
2D Compatibility (PS) -17388 + (NN) -10410 + (LL) 0
1D Compatibility (HY) -13600 + (ID) 4750
Total energy: -154496.0 ( -116.78 by residue)
QMean score : 0.555
(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
: