Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGNIALELTSISKSFKRNSAIIKGINLSVAKGQVVALIGSSGSGKTTILQIAGLLDKPTSGIVTIDGVNCTQASNKHKTHMRRSFLSFVYQFHYLLQELSVLENVILPQLIARKGKAEAINNAQAVLEKFGLENKASSMISEISGGERQRVAIARSIVNSPRLLLADEPTGNLDPTNSLNVFLLLYSYVKENNSSMLIVTHSHLLAEKADYILQLKDGSLVKL
2PCJ Chain:B ((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) -113875 for 1586 contacts (-71.8/contact) +
2D Compatibility (PS) -22410 + (NN) -10167 + (LL) 1152
1D Compatibility (HY) -17200 + (ID) 4900
Total energy: -167400.0 ( -105.55 by residue)
QMean score : 0.567
(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
: