Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTETLLSIKDLSITFTQYGRFLKPFQSTPIQALNLEIKKGELLAIIGASGSGKSLLAHAIMDILPKNASVTGDMIYRGQSL---NSKRIKQLRGKDITLIPQSVNYLDPSMKVKHQV-----RLGI-SENSKATQEGLFQQFGLKESDGDLY---PFQLSGGMLRRVLFTTCISDKVSLIIADEPTPGLHPDALQMVLDQLRSFADKGISVIFITHDIVAASQIADRITIFKEGKAIETAPASFFSGNGEQLQTEFARSLLRSLPQQEFLKGVTHDLRG
2PCL Chain:A ((20-218))
-----------------------------LKGISLSVKKGEFVSIIGASGSGKSTLLY-ILGLL--DAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQ-FHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGL----GDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELA-ELTHRTLEMKDGKVVGEITRV------------------------------------
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) -141746 for 1393 contacts (-101.8/contact) +
2D Compatibility (PS) -20397 + (NN) -10666 + (LL) 4412
1D Compatibility (HY) -14400 + (ID) 3150
Total energy: -185947.0 ( -133.49 by residue)
QMean score : 0.533
(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
: