Atomistic fingerprint of hyaluronan–CD44 binding
Fig 1
Three mutually exclusive binding modes.
The three binding modes aligned together to the same CD44 template. Blue surface represents HA in the crystallographic mode (B-form, as in Ref. [10]), green represents the parallel mode, and red describes the upright binding mode (as in Ref. [4]). These orientations represent the situation in the beginning of the gathering simulations (Table A in S1 File).