Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALVVKDIVKNFGEGLSETKVLKGINFEVEQGEFVILNGASGSGKTTLLTILGGLLSQTSGTVLYNDAPL-FDKQHRPSDLRLEDIGFIFQSSHLVPYLKVIEQLTLVGQEAGMTKQQSSTRAIQLLKNIGLEDRLNVYPHQLSGGEKQRVAIMRAFMNNPKIILADEPTASLDADRATKVVEMIRQQIKEQQMIGIMITHDRRLFEYADRVIELEDGKITD
2PCL Chain:A ((18-217))
-------------------EILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMD-IFLKINEGGTSIVMVTHERELAELTHRTLEMKDGKV--
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) -109363 for 1550 contacts (-70.6/contact) +
2D Compatibility (PS) -21900 + (NN) -8869 + (LL) 1660
1D Compatibility (HY) -15200 + (ID) 4150
Total energy: -157822.0 ( -101.82 by residue)
QMean score : 0.561
(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
: