Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPTRSREEYFNLPLKVDESSGTIGKMFVLVIYDISD-----NRRRASLAKILAGFGYRVQESAFEAMLTKGQLAKLVARIDRFA-IDCDNIRIYKIRGVAAVTFYGRGRLVSAEEFVFF
4QR2 Chain:A ((1-83))
-------------------------MMVLVTYDVNTETPAGRKRLRHVAKLCVDYGQRVQNSVFECSVTPAEFVDIKHRLTQIIDEKTDSIRFYLLGKNWQRRVETLG-----------
General information:
TITO was launched using:
RESULT:
Template:
4QR2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64307 for 482 contacts (-133.4/contact) +
2D Compatibility (PS) -8330 + (NN) -2973 + (LL) 2440
1D Compatibility (HY) -5600 + (ID) 1150
Total energy: -79920.0 ( -165.81 by residue)
QMean score : 0.548
(partial model without unconserved sides chains):
PDB file :
Tito_4QR2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QR2-query.scw
PDB file :
Tito_Scwrl_4QR2.pdb
: