Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3T80 Chain:C ((4-159))
-MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPD------GADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIACEAVALLMK
General information:
TITO was launched using:
RESULT:
Template:
3T80.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106185 for 1282 contacts (-82.8/contact) +
2D Compatibility (PS) -16690 + (NN) -10482 + (LL) 780
1D Compatibility (HY) -14400 + (ID) 4650
Total energy: -151627.0 ( -118.27 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_3T80.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3T80-query.scw
PDB file :
Tito_Scwrl_3T80.pdb
: