Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPTRSREEYFNLPLKVDESSGTIGKMFVLVIYDISDN-----RRRASLAKILAGFGYRVQESAFEAMLTKGQLA----KLVARIDRFAIDCDNIRIYKIRGVAAVTFYGRGRLVSAEEFVFF
4ES3 Chain:A ((5-79))
-------------------------MLVLITYDVQTSSMGGTKRLRKVAKACQNYGQRVQNSVFECIVDSTQLTSLKLELTSLIDE---EKDSLRIYRL-----------------------
General information:
TITO was launched using:
RESULT:
Template:
4ES3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42944 for 385 contacts (-111.5/contact) +
2D Compatibility (PS) -6897 + (NN) -3877 + (LL) 3552
1D Compatibility (HY) -6400 + (ID) 1200
Total energy: -57766.0 ( -150.04 by residue)
QMean score : 0.694
(partial model without unconserved sides chains):
PDB file :
Tito_4ES3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4ES3-query.scw
PDB file :
Tito_Scwrl_4ES3.pdb
: