Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MQRFFHFLVWSLTSSATFVFIGILSFFGLNQSIFLSIVYGLASGAAVYIAGIWNARRLFLKKHELTGREYAYIKKNLEEARQKMVRLRKALFQAKSIQMFKQNAEMLRIVRRIYLLTKKEPKRFYQAERFFYQTLDSVVELTEKYAFLSSHPKKSKELSMSLSETRITLTELTKRLEEDLTQAMGDEIDELQFELDAAKHSLKK--
4HIA Chain:A ((1-176))
MDQKQFEKIRAVFDRSGVAL----------------TLVDMSLPEQPVVLANPPFLRMTGYTEGQILGFNCRFLQRG-DENAQARADIRDALKLGRE--------------LQVVLRNYRANDEPFDNLLFLHPVGGRPDAPDYFLGSQFELGRSGNSEEAAAAGHAGALTGELARIGTVAARLEMDSRRHLAQAAAALVRAWERRG
General information:
TITO was launched using:
RESULT:
Template:
4HIA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -30678 for 1306 contacts (-23.5/contact) +
2D Compatibility (PS) -18357 + (NN) -5806 + (LL) 3380
1D Compatibility (HY) 2800 + (ID) 1050
Total energy: -49711.0 ( -38.06 by residue)
QMean score : 0.309
(partial model without unconserved sides chains):
PDB file :
Tito_4HIA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HIA-query.scw
PDB file :
Tito_Scwrl_4HIA.pdb
: