Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMPLILLPAVDVVEGRAVRLVQGKAGSQTEYGSAVDAALGWQRDGAEWIHLVDLDAAFGRGSNHELLAEVVGKLDVQVELSGGIRDDESLAAALATGCARVNVGTAALENPQWCARVIGEHGDQVAVGLDVQIIDGEHRLRGRGWETDGGDLWDVLERLDSEGCSRFVVTDITKDGTLGGPNLDLLAGVADRTDAPVIASGGVSSLDDLRAIATLTHRGVEGAIVGKALYARRFTLPQALAAVRD
4X2R Chain:A ((5-235))
---LTLLPAVDVADGKAVRLLQGEAGSETDYGSPIEAARDWVEAGAEWIHLVDLDAAFGRGSNAPLLERIVGEVGIKVELSGGIRDDASLTRALKAGAARVNLGTAALEDPQWTARVIAEHGEKIAVGLDVR----GTTLAAR-----GGDLWQTLDRLNEAGCRRYVVTDVTKDGTLTGPNTELLRQVAARTSAPVVASGGISSLEDIAALARLVPQGVDSAIVGKALYNGNFTLPQ-------
General information:
TITO was launched using:
RESULT:
Template:
4X2R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144089 for 1978 contacts (-72.8/contact) +
2D Compatibility (PS) -24829 + (NN) -12640 + (LL) 1324
1D Compatibility (HY) -23600 + (ID) 7500
Total energy: -211334.0 ( -106.84 by residue)
QMean score : 0.695
(partial model without unconserved sides chains):
PDB file :
Tito_4X2R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4X2R-query.scw
PDB file :
Tito_Scwrl_4X2R.pdb
: