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. Author manuscript; available in PMC: 2020 Jun 16.
Published in final edited form as: ACS Catal. 2017 Dec 8;8(1):314–327. doi: 10.1021/acscatal.7b02976

Figure 3.

Figure 3.

Automated pipeline to identify ribozyme contacts. Step 1: Contact atoms (CAs) within a specified distance (≤ 5Å) to the atom of interest (AOI), O2′ in this example, were identified and deemed to form a potential contact. Step 2: CAs were filtered according to the occurrence threshold (see Methods) and ranked (L to R) according to their average distance to the AOI; angles for hydrogen bonding are provided above each CA, with optimal hydrogen bonding distance shaded blue. Step 3: Identified contacts were unified to give a mechanistic model depicting strategies for small ribozyme self-cleavage.