Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLEAKKLGFYHKKDQWLFKEINLEVAPGQVLGIFGQSGCGKTSLSKVLAGFLHPRSGEVLVDGSNLPNK--------AFRPVQLIQQHPEKTMNPLWPMKKSLEEAY-----------YPSRDLLDAFGIQEKWLNRRPSELSGGELQRFSIVRSLHPETKYLIADEMTTMLDSITQASVWKSLLEIVKDRNLGLIVISHDFAMLEKLCNQCYMIEENRIVSFNGD
2PCJ Chain:A ((3-222))
EILRAENIKKVIR-GYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLI--PELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLG-DKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKIN-EGGTSIVMVTHERELAE-LTHRTLEMKDGKVVGEITR
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) -127782 for 1622 contacts (-78.8/contact) +
2D Compatibility (PS) -21447 + (NN) -6020 + (LL) 424
1D Compatibility (HY) -12400 + (ID) 2750
Total energy: -169975.0 ( -104.79 by residue)
QMean score : 0.484
(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
: