For example the first heavy entry is EVQLVESGGGLVQPGGSLRLSCAASTRYFFNGWYYFDVIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSS
The designed HCDR3 TRYFFNGWYYFDV has been swapped for trastuzumab's HCDR1 (GFNIKDTY) and trastuzumab's HCDR3 (SRWGGDGFYAMDY) is still present.
Looking at the data file in
data/binding/Shanehsazzadeh2023_trastuzumab_zero_kd.csv
it appears that the HCDR3 sequences from https://github.com/AbSciBio/unlocking-de-novo-antibody-design/tree/main have been copied over but in place of trastuzumab's HCDR1 instead of its HCDR3.For example the first
heavy
entry isEVQLVESGGGLVQPGGSLRLSCAASTRYFFNGWYYFDVIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSS
The designed HCDR3
TRYFFNGWYYFDV
has been swapped for trastuzumab's HCDR1 (GFNIKDTY
) and trastuzumab's HCDR3 (SRWGGDGFYAMDY
) is still present.