Neck-region–microtubule interactions direct counterclockwise stepping of kinesin-1

The "neck" region of kinesin is a structurally conserved element critical for force generation, stepping directionality, and cargo transport along microtubules, yet its atomic-scale structure in a functional context remains unresolved. Here, we employ all-atom replica exchange molecular dynamics simulations to resolve a high-confidence neck-region conformation of the dimeric human kinesin-1 bound to a structurally realistic microtubule lattice, and subsequently use this structure to simulate kin