Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMEETTKIPQATAKRLPLYHRYLKYLDESGKERVSSAELSEAVKVDSATIRRDFSYFGALGKKGYGYNVSYILDFFSKTLSQDKQTNVALIGVGNLGTALLHYNFMKNNNIKIVAAFDVDPAK-VGSVQQD-IPIYHLNDMEEIVRENGVEVVILTVPADEAQVTVDRLIEADVKGILNFTPARISVPKQVRVHHIDLTTELQTLIYFLENYPAKTE
3KET Chain:A ((7-208))
-------IPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHLIDSDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFM--------
General information:
TITO was launched using:
RESULT:
Template:
3KET.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138799 for 1439 contacts (-96.5/contact) +
2D Compatibility (PS) -21668 + (NN) -5834 + (LL) 1132
1D Compatibility (HY) -21600 + (ID) 4750
Total energy: -191519.0 ( -133.09 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_3KET.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KET-query.scw
PDB file :
Tito_Scwrl_3KET.pdb
: