Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAILELKHISKHYPDGDELLSILDNLDLSVSAGEFVAILGPSGSGKSTLLSIAGLLLGADQGSLYVNHENVTDLSQRQRTQLRREALGFIFQSHQLLPYLTIQEQ-LQQEARFAKHYDKKTSLEEINKLLSDLGIEQCAHKYPNQLSGGQKQRAAIARAFINHPKVILADEPTASLDEERGRQVTELIRQEVKSHNTAAIMVTHDERVLDLVDTVYRLKDGKLVKENF
2PCL Chain:A ((19-220))
----------------------ILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGK--PKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLK-INEGGTSIVMVTHERELAELTHRTLEMKDGKVVGEIT
General information:
TITO was launched using:
RESULT:
Template:
2PCL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93217 for 1549 contacts (-60.2/contact) +
2D Compatibility (PS) -22052 + (NN) -7156 + (LL) 1672
1D Compatibility (HY) -16000 + (ID) 4100
Total energy: -140853.0 ( -90.93 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_2PCL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PCL-query.scw
PDB file :
Tito_Scwrl_2PCL.pdb
: