Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
1T0A Chain:A ((3-158))
-IRIGHGFDVHKFGEPRPLILCGVEVPYETGLVAHSDGDVVLHAISDAILGAMALGDIGKHFPDTDAAYKGADSRVLLRHCYALAKAKGFELGNLDVTIIAQAPKMAPHIEDMRQVLAADLNADVADINVKATTTEKLGFTGRKEGIAVEAVVLLSR
General information:
TITO was launched using:
RESULT:
Template:
1T0A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107682 for 1316 contacts (-81.8/contact) +
2D Compatibility (PS) -17069 + (NN) -9426 + (LL) 208
1D Compatibility (HY) -14800 + (ID) 4800
Total energy: -153569.0 ( -116.69 by residue)
QMean score : 0.609
(partial model without unconserved sides chains):
PDB file :
Tito_1T0A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1T0A-query.scw
PDB file :
Tito_Scwrl_1T0A.pdb
: