Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASEEKFTRQTLLDVQPLTPNLFTLRTSRDAGFRFRAGQFARLGVYKPSGSIVWRAYSMVSAPHDEFLDFFSIVVPDGEFTSELSRLREGDQLLVDRQAFGFLTLDRFVDGRDLWLLATGTGVAPFVSILQDFEVWERFESIKLVYSVRESKELAYRELIAGLAEREYLAEHAHKLQFIPVVTREQVPGCLNGRITTLIENGDLERAADLELTPEHSRVMLCGNPQMIEDTRAVLK-ARGMNLSLTRRPGQVAVENYW
1FDR Chain:A ((12-248))
---------------VQNWTDALFSL-TVHAPVLPFTAGQFTKLGL-EI---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) -183761 for 1943 contacts (-94.6/contact) +
2D Compatibility (PS) -25290 + (NN) -10792 + (LL) 1964
1D Compatibility (HY) -22000 + (ID) 5050
Total energy: -244929.0 ( -126.06 by residue)
QMean score : 0.576
(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
: