Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASEEKFTRQTLLDVQPLTPNLFTLRTSRDAGFRFRAGQFARLGVYKPSGSIVWRAYSMVSAPHDEFLDFFSIVVPDGEFTSELSRLREGDQLLVDRQAFGFLTLDRFVDGRDLWLLATGTGVAPFVSILQDFEVWERFESIKLVYSVRESKELAYRELIAGLAEREYLAEHAHKLQFIPVVTREQVPGCLNGRITTLIENGDLERAADLELTPEHSRVMLCGNPQMIEDTRAVLKAR-GMNLSLTRRPGQVAVENYW
1FDR Chain:A ((2-248))
-----ADWVTGKVTKVQNWTDALFSLTVHAP-VLPFTAGQFTKLGLEI----RVQRAYSYVNSPDNPDLEFYLVTVPDGKLSPRLAALKPGDEVQVVSEAAGFFVLDEVPHCETLWMLATGTAIGPYLSILRLGKDLDRFKNLVLVHAARYAADLSYLPLMQELEKR-----YEGKLRIQTVVSRETAAGSLTGRIPALIESGELESTIGLPMNKETSHVMLCGNPQMVRDTQQLLKETRQMTKHLRRRPGHMTAEHYW
General information:
TITO was launched using:
RESULT:
Template:
1FDR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -186956 for 2045 contacts (-91.4/contact) +
2D Compatibility (PS) -26402 + (NN) -9762 + (LL) 876
1D Compatibility (HY) -22000 + (ID) 4950
Total energy: -249194.0 ( -121.86 by residue)
QMean score : 0.600
(partial model without unconserved sides chains):
PDB file :
Tito_1FDR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1FDR-query.scw
PDB file :
Tito_Scwrl_1FDR.pdb
: