Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVPKRVKHRREFRGKMRGEAKGGKEVSFGEYGLQATTSHWITNRQIEAARIAMTRYMKRGGKVWIKIFPHKSYTAKAIGVRMGSGKGAPEGWVAPVKRGKVMFEIAGVSEEVAREALRLASHKLPVKCKFVKREAE
4IOA Chain:J ((5-135))
----KRTKFRKQFRGRMTGDAKGGDYVAFGDYGLIAMEPAWIKSNQIEACRIVMSRHFRRGGKIYIRIFPDKPVTKKPAETRMGKGKGAVEYWVSVVKPGRVMFEVAGVTEEQAKEAFRLAGHKLPIQTKMVKREVY
General information:
TITO was launched using:
RESULT:
Template:
4IOA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -29571 for 880 contacts (-33.6/contact) +
2D Compatibility (PS) -14176 + (NN) -6031 + (LL) 436
1D Compatibility (HY) -10800 + (ID) 3900
Total energy: -64042.0 ( -72.78 by residue)
QMean score : 0.414
(partial model without unconserved sides chains):
PDB file :
Tito_4IOA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IOA-query.scw
PDB file :
Tito_Scwrl_4IOA.pdb
: