of H3 loop - Accelrys
of H3 loop - Accelrys
of H3 loop - Accelrys
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20<br />
Example: Homology Modeling <strong>of</strong> an Antibody fragment and<br />
de novo reconstruction <strong>of</strong> <strong>H3</strong> <strong>loop</strong><br />
• Modeling <strong>of</strong> the 2aab Fab fragment<br />
– Clinically relevant melanoma antigen system<br />
– 25 models built, high quality<br />
– 1mf2 used as template<br />
– 89.4% id, 92.8% sim<br />
8 residue <strong>H3</strong> <strong>loop</strong> modeled!!!<br />
Fab<br />
RMSD* (seq): 2.46, 434 residues<br />
RMSD* (struct): 1.94 279 residues<br />
Fv<br />
RSMD* (seq): 1.27, 232 residues |0.90 224 residues * †<br />
RMSD* (struct): 0.83, 224 residues | 0.76, 220 residues* †<br />
* backbone atom rmsd † no <strong>H3</strong> <strong>loop</strong> included
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