Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKLIVALFGLLLAACSSSPPETPPTRVVIWLHAAPNLNPSAAGQAAPLRLRLYELKKDTAFGRADYFALTDNAQSTLGGDLVEQDEFLLRPGEE-RRIERTLDEQTRQLGFVAAYRDLDRATWRQVLDVPGQRTSHL-----------DITLGAQAIGIVARPAP
4A1R Chain:A ((5-146))
----------------------SVPSRYSLVFDADRQVNAAAGAQPAPIKIRVLLLRSDAEFMDADFFSLQNDAKSVLGNSLLDSDQFFLTPGQTGKKLGGQSALDARYIGVIAEYQNLDGKTWRISLPLPEPTETNFYKVWQFSPDELEAHIVAGVSGLRPVK--
General information:
TITO was launched using:
RESULT:
Template:
4A1R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55940 for 914 contacts (-61.2/contact) +
2D Compatibility (PS) -13511 + (NN) -5676 + (LL) 1860
1D Compatibility (HY) -10400 + (ID) 1950
Total energy: -85617.0 ( -93.67 by residue)
QMean score : 0.429
(partial model without unconserved sides chains):
PDB file :
Tito_4A1R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4A1R-query.scw
PDB file :
Tito_Scwrl_4A1R.pdb
: