Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPPAKKGPATSARKGQKTRRREKKNVPHGAAHIKSTFNNTIVTITDPQGNVIAWASSGHVGFKGSRKSTPFAAQLAAENAARKAQDHGVRKVDVFVKGPGSGRETAIRSLQAAGLEVGAISDVTPQPHNGVRPPKRRRV
4JYA Chain:K ((1-116))
----------------------KRQVASGRAYIHASYNNTIVTITDPDGNPITWSSGGVIGYKGSRKGTPYAAQLAALDAAKKAMAYGMQSVDVIVRGTGAGREQAIRALQASGLQVKSIVDDTPVPHNGCRPKKKFR-
General information:
TITO was launched using:
RESULT:
Template:
4JYA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -17759 for 871 contacts (-20.4/contact) +
2D Compatibility (PS) -13148 + (NN) -12638 + (LL) 1024
1D Compatibility (HY) -8400 + (ID) 3500
Total energy: -54421.0 ( -62.48 by residue)
QMean score : 0.683
(partial model without unconserved sides chains):
PDB file :
Tito_4JYA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JYA-query.scw
PDB file :
Tito_Scwrl_4JYA.pdb
: