Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFYTQNEEELIALGQKLGTVLKSGDIVLLTGNLGAGKTTLTKGIAKGLDIKQMIKSPTYTIVREYEGRVPLYHLDVYRIGDDPDSIDLDDFLFGQGVTVIEWGELLSDNLINNYLEIVITRSNQGRQVQLEAYGHRAREIIEAIQDV
4LOA Chain:A ((7-30))
--------------------------IVFIGESGSGKSTLARALAKDLDLVFLDSDFLIEQKFNQKASEIWEQYGWNFALEQEQKMADFFSSCEKACIATSGSFVNVSNLEKAGFCIYLKADFEYLKKRLFPLFSDEIKWKKHYNET
General information:
TITO was launched using:
RESULT:
Template:
4LOA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -7964 for 100 contacts (-79.6/contact) +
2D Compatibility (PS) -2325 + (NN) 274 + (LL) 1964
1D Compatibility (HY) -2400 + (ID) 500
Total energy: -10951.0 ( -109.51 by residue)
QMean score : 0.638
(partial model without unconserved sides chains):
PDB file :
Tito_4LOA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LOA-query.scw
PDB file :
Tito_Scwrl_4LOA.pdb
: