Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKLIVALFGLLLAACSSSPPETPPTRVVIWLHAAPNLNPSAAGQAAPLRLRLYELKKDTAFGRADYFALTDNAQSTLGGDLVEQDEFLLRPGEERRI---ERTLDEQTRQLGFVAAYRDLDRATWRQVLDVPGQRTSHLDITLGAQAIGIVARPAP
4A1R Chain:A ((5-113))
----------------------SVPSRYSLVFDADRQVNAAAGAQPAPIKIRVLLLRSDAEFMDADFFSLQNDAKSVLGNSLLDSDQFFLTPGQTGKKLGGQSALD--ARYIGVIAEYQNLDGKTWRISLPLPEPTETNFYKVWQFSPDELEAHIVA
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) -20797 for 690 contacts (-30.1/contact) +
2D Compatibility (PS) -11235 + (NN) -5782 + (LL) 2080
1D Compatibility (HY) -10400 + (ID) 1950
Total energy: -48084.0 ( -69.69 by residue)
QMean score : 0.374
(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
: