Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGNIALELTSISKSFKRNSAIIKGINLSVAKGQVVALIGSSGSGKTTILQIAGLLDKPTSGIVTIDGVNCTQASNKHKTHMRRSFLSFVYQFHYLLQELSVLENVILPQLIARKGKAEAINNAQAVLEKFGLENKASSMISEISGGERQRVAIARSIVNSPRLLLADEPTGNLDPTNSLNVFLLLYSYVKENNSSMLIVTHSHLLAEKADYILQLKDGSLVKL
2PCJ Chain:A ((2-219))
---AEILRAENIKKVIR-GYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINE-GGTSIVMVTHERELAELTHRTLEMKDGKVVGE
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) -132655 for 1762 contacts (-75.3/contact) +
2D Compatibility (PS) -23804 + (NN) -10242 + (LL) 68
1D Compatibility (HY) -18000 + (ID) 4950
Total energy: -189583.0 ( -107.60 by residue)
QMean score : 0.565
(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
: