FIGURE 4.
Interstrand contacts established in the RNA (K2 RNA). (A) The interstrand contact formed between the O2′ atom of A29 and the N1 atom of A44. (B) Hydrogen-bonding distance between the O2′ atom of A29 and the N1 atom of A44 in the bound (red curve) and unbound RNA (black curve) during the MD-LES trajectories. (C) The interstrand contact formed between the N2 atom of G45 and the O3′ atom of A33. (D) Hydrogen-bonding distance between the N2 atom of G45 and the O3′ atom of A33 in the bound and unbound RNA during the MD-LES (red and black curves) and MD+LES (green and blue curves) trajectories.
