Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAILEVKQLTKIYGTKKMAQEVLRDINMSIEEGEFIAIMGPSGSGKTTLLNVLSSIDYISQGSITLKGKKLEKLSNKELSDIRKHDIGFIFQEYNLLHTLTVKENIMLPLTVQKLDKEHMLNRYEKVAEALNILDISDKYPSELSGGQRQRTSAARAFITLPSIIFADEPTGALDSKSTQDLLKRLTRMNEAFKSTIIMVTHDPVAASYANRVVMLKDGQIFTELYQGDDDKHTFFKEIIRVQSVLGGVNYDL
2PCJ Chain:A ((2-222))
AEILRAENIKKVIRG----YEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINE-GGTSIVMVTHERELAELTHRTLEMKDGKVVGEIT---------------------------
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) -120788 for 1788 contacts (-67.6/contact) +
2D Compatibility (PS) -23744 + (NN) -5125 + (LL) 2056
1D Compatibility (HY) -14400 + (ID) 4100
Total energy: -166101.0 ( -92.90 by residue)
QMean score : 0.471
(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
: