Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METNLELQDITYQYDSGNKAQIVLRNLSYTFSEGTFYTILGPSGAGKTTLLSIAAGIDKPTSGKLIINKKVLNETMSLQSY---RKSLSSIIFQTYNLIPYMTAVQNVYTAMGIQHSQMKDKRKRAIELLKEVGLTDKQINSPVLKLSGGQQQRVTIARALSGNAPFIFADEPTGNLDHETSEHIIDLFRDLAHKKNKCVVMVTHDNHVASRSDVILNLKGKTLI
2PCJ Chain:A ((2-217))
-AEILRAENIKKVIRG----YEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYT-NEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKL-SRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKIN-EGGTSIVMVTHERELAELTHRTLEMKDGKV-
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) -106915 for 1711 contacts (-62.5/contact) +
2D Compatibility (PS) -23648 + (NN) -10904 + (LL) 824
1D Compatibility (HY) -16800 + (ID) 3800
Total energy: -161243.0 ( -94.24 by residue)
QMean score : 0.558
(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
: