Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGNIALELTSISKSFKRNSAIIKGINLSVAKGQVVALIGSSGSGKTTILQIAGLLDKPTSGIVTIDGVNCTQASNKHKTHMRRSFLSFVYQFHYLLQELSVLENVILPQLIARKGKAEAINNAQAVLEKFGLENKASSMISEISGGERQRVAIARSIVNSPRLLLADEPTGNLDPTNSLNVFLLLYSYVKENNSSMLIVTHSHLLAEKADYILQLKDGSLVKL
2PCJ Chain:A ((15-218))
-----------------RGYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRV-MDIFLKINEGGTSIVMVTHERELAELTHRTLEMKDGKVVGE
General information:
TITO was launched using:
RESULT:
Template:
2PCJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110393 for 1579 contacts (-69.9/contact) +
2D Compatibility (PS) -22364 + (NN) -10144 + (LL) 1152
1D Compatibility (HY) -17200 + (ID) 4900
Total energy: -163849.0 ( -103.77 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_2PCJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PCJ-query.scw
PDB file :
Tito_Scwrl_2PCJ.pdb
: