Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3ERN Chain:B ((7-162))
-MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIK
General information:
TITO was launched using:
RESULT:
Template:
3ERN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106424 for 1282 contacts (-83.0/contact) +
2D Compatibility (PS) -17237 + (NN) -10251 + (LL) 208
1D Compatibility (HY) -14000 + (ID) 4850
Total energy: -152554.0 ( -119.00 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_3ERN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ERN-query.scw
PDB file :
Tito_Scwrl_3ERN.pdb
: