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Table 1 Patterns identified and their condensed representations

From: Identification of reaction organization patterns that naturally cluster enzymatic transformations

TS-cluster identifier CTS patterns Number of reactions per CTS Rule used to generate the pattern
CTS-1 >(!(C_C)(C_C)) 1627 Balance
CTS-2 >(!(C)(C_C)) 1059 Balance
CTS-3 >(!(C)(!(C)(C_C))) 1028 Balance
CTS-4 >(!(C)(!(C_C)(C_C))) 897 Balance
CTS-5 >(!(C)(!(!(C)(!(C)(C_C)))(C_C))) 439 Balance
CTS-6 >(!(C)(!(!(C)(C_C))(C_C))) 349 Balance
CTS-7 >(!(C_C)(!(C_C)(C_C))) 150 Balance
CTS-8 >(!(C_C)(!(C)(C_C))) 143 Balance
CTS-9 >(!(!(C)(C_C))(!(C)(C_C))) 103 Balance
CTS-10 >(!(C)(!(!(C_C)(C_C))(C_C))) 97 Balance
CTS-11 >(!(C)(!(!(C_C)(!(C)(C_C)))(C_C))) 82 Balance
CTS-12 >(!(C)(!(C)(!(C)(C_C)))) 66 Balance
CTS-13 >(!(!(C)(C_C))(C_C)) 54 Balance
CTS-14 >(!(C_C)(!(C)(!(C)(C_C)))) 42 Balance
CTS-15 >(!(!(C)(!(C)(C_C)))(C_C)) 29 Balance
CTS-16 >(!(!(C_C)(!(C)(C_C)))(C_C)) 26 Balance
CTS-20 >(!(C)(!(C)(!(C)(!(C)(C_C))))) 12 Balance
CTS-21 >(!(C)(!(C_C)(!(C)(C_C)))) 12 Balance
CTS-23 >(!(C_C)(!(C_C)(!(C)(C_C)))) 8 Balance
CTS-24 >(!(C_C)(!(!(C)(C)_C))(C_C))) 8 Balance
CTS-25 >(!(C)(!(!(!(C)(C_C))(C_C))(C_C))) 5 Balance
CTS-26 >(!(!(C)(C_C))(!(C_C)(C_C))) 5 Balance
CTS-29 >(!(C)(!(!(C)(!(C)(!(C)(C_C))))(C_C))) 4 Balance
CTS-30 >(!(C)(!(!(C)(C_C))(!(C)(C_C)))) 4 Balance
CTS-31 >(!(!(C_C)(C_C))(C_C)) 4 Balance
CTS-33 >(!(C)(!(!(C)(!(C_C)(!(C)(!(C)(C_C)))))(C_C))) 3 Balance
CTS-34 >(!(C)(!(!(C)(!(!(C)(C_C))(C_C)))(C_C))) 3 Balance
CTS-38 >(!(C)(!(!(C)(C_C))(!(!(C)(C_C))(C_C)))) 2 Balance
CTS-39 >(!(C)(!(C_C)(!(!(C)(C_C))(C_C)))) 2 Balance
CTS-40 >(!(C)(!(!(C)(!(C)(C_C)))(!(C)(C_C)))) 2 Balance
CTS-41 >(!(!(C)(C_C))(!(!(C)(C_C))(C_C))) 2 Balance
CTS-42 >(!(!(C)(!(C)(C_C)))(!(C)(!(C)(C_C)))) 2 Balance
CTS-44 >(!(C)(!(C)(!(C)(!(C)(!(C)(C_C)))))) 2 Balance
CTS-45 >(!(C_C)(!(C)(!(C_C)(C_C)))) 2 Balance
CTS-46 >(!(!(C)(!(C)(C_C)))(!(C)(C_C))) 2 Balance
CTS-47 >(!(!(C_C)(C_C))(!(C)(C_C))) 2 Balance
CTS-50 >(!(!(C)(!(C)(C_C)))(!(C_C)(!(!(C)(C_C))(C_C)))) 1 Balance
CTS-51 >(!(C)(!(!(C)(!(!(C)(C_C))(!(C)(C_C))))(C_C))) 1 Balance
CTS-52 >(!(!(C)(!(C)(C_C)))(!(C)(!(C)(!(C)(!(C)(C_C)))))) 1 Balance
CTS-53 >(!(C)(!(!(C)(!(C)(!(C_C)(C_C))))(C_C))) 1 Balance
CTS-54 >(!(C)(!(!(C_C)(C_C))(!(C)(!(C)(C_C))))) 1 Balance
CTS-55 >(!(C_C)(!(!(C)(!(C)(C_C)))(!(C)(C_C)))) 1 Balance
CTS-57 >(!(C)(!(C_C)(!(C)(!(C_C)(C_C))))) 1 Balance
CTS-58 >(!(C)(!(!(C)(!(C_C)(C_C)))(C_C))) 1 Balance
CTS-59 >(!(C_C)(!(C)(!(C_C)(!(C)(C_C))))) 1 Balance
CTS-60 >(!(C_C)(!(C_C)(!(C)(!(C)(C_C))))) 1 Balance
CTS-61 >(!(C_C)(!(C_C)(!(C_C)(C_C)))) 1 Balance
CTS-62 >(!(!(C)(C_C))(!(C)(!(C_C)(C_C)))) 1 Balance
CTS-65 >(!(!(C)(C_C))(!(C)(!(C)(C_C)))) 1 Balance
CTS-66 >(!(!(C)(!(C)(!(C)(C_C))))(C_C)) 1 Balance
CTS-19 >(!!(C_C)(C_C)) 14 Count
CTS-71 >(!!(C)(C_C)) 1 Count
CTS-17 >(!!(!(C)(C_C))(!(C_C)(C_C))) 24 Count-Balance
CTS-18 >(!!(!(C_C)(C_C))(!(C)(!(C)(C_C)))) 16 Count-Balance
CTS-22 >(!!(C_C)(!(C)(C_C))) 10 Count-Balance
CTS-27 >(!!(!(C)(C_C))(!(C)(!(C)(C_C)))) 5 Count-Balance
CTS-28 >(!(C)(!!(C)(C_C))) 5 Count-Balance
CTS-32 >(!!(!(C)(C_C))(!(C)(C_C))) 4 Count-Balance
CTS-35 >(!!(!(C)(!(C)(C_C)))(!(C)(!(C)(C_C)))) 3 Count-Balance
CTS-36 >(!!(!(C_C)(C_C))(C_C)) 3 Count-Balance
CTS-37 >(!!(!(C)(C_C))(C_C)) 3 Count-Balance
CTS-43 >(!!(!(C)(C_C))(!(!(C)(C_C))(C_C))) 2 Count-Balance
CTS-48 >(!!(C_C)(!(C)(!(C)(C_C)))) 2 Count-Balance
CTS-49 >(!!(!(C)(!(C)(C_C)))(C_C)) 2 Count-Balance
CTS-56 >(!!(!(C)(!(C_C)(C_C)))(!(C)(!(C)(C_C)))) 1 Count-Balance
CTS-63 >(!!(C_C)(!!(!(C)(!(C)(C_C)))(C_C))) 1 Count-Balance
CTS-64 >(!!(!(C_C)(!(C)(C_C)))(!(C)(C_C))) 1 Count-Balance
CTS-67 >(!!(C_C)(!(!(C)(C_C))(C_C))) 1 Count-Balance
CTS-68 >(!!(!(C_C)(!(C)(C_C)))(C_C)) 1 Count-Balance
CTS-69 >(!!(C_C)(!(C_C)(C_C))) 1 Count-Balance
CTS-70 >(!(C)(!!(C_C)(C_C))) 1 Count-Balance
  1. We describe the general topologies of the reactions found by our approach. Column 1 indicates the CTS identifier, and Column 2 shows the general pattern found for groups of reactions. “>” indicates the root of the tree structure; “!” indicates use of the balance rule; “!!” indicates use of the count rule; and “C” indicates a compound. A pair is described as (C_C), and a loner compound is (C). The number of parentheses around the pair or loner compound indicates its depth in the tree and the number of partitions employed for separation. Column 4 describes the rule or rules used to generate the arrangements