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. 2020 Jun 9;30(6):061102. doi: 10.1063/5.0013029

TABLE V.

List of amino acids with the largest values of LR subgraph centrality in the average free protease (average of 6M03, 6Y2E, 6M2Q) and with the same parameter for the protease bounded to inhibitors (6M0K, 6LZE, and 6Y2G). The amino acids in the bounded protease that are not in the top rank of the free one are marked in bold.

Rank Average 6M0K 6LZE 6Y2G
1 N28 N28 N28 N28
2 G29 G29 G29 G29
3 L27 L27 L27 Q19
4 V18 V18 Q19 V18
5 Q19 Q19 V18 L27
6 V20 V20 V20 V20
7 G146 G120 G146 G146
8 G120 G146 S144 C38
9 L30 L30 C38 M17
10 C38 C38 N119 S144
11 M17 M17 C117 W31
12 N119 S144 G120 G120
13 S144 N119 Y118 S147
14 Y118 Y118 M17 L30
15 C117 C117 S147 Y37
16 W31 W31 W31 C117
17 V36 V36 V36 V36
18 Y37 Y37 L30 V68
19 S147 S147 Y37 N119
20 T26 C145 T21 C145
21 C145 V68 C145 T21
22 T21 T21 T26 Q69