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. Author manuscript; available in PMC: 2013 Jun 10.
Published in final edited form as: Biochemistry. 2011 Jun 3;50(25):5757–5766. doi: 10.1021/bi2001856

Table 3.

A list of water molecules that are trapped in a pocket at the interface of UBC9 and SUMO1 for more than 10 ns and their residence time. The definition of SUMO-Ubc9 interface is given in Methods.

Without E3 With E3

Atm_index Time (ns) Atm_index Time (ns)
17007 46.1 21407 81.5
48039 31 38807 81.4
35412 28.5 17408 56.9
24117 19.4 40091 46.7
28446 17.4 50282 45.2
38376 17.4 41810 35.3
19854 17.1 35387 28.3
44481 15.7 32966 23.9
36753 14.3 60995 22.7
6411 13.3 29270 22.4
13491 13.3 50009 21.6
45138 12.8 42896 21.4
23046 11.7 51074 17.8
29730 11.5 8669 17.4
54999 11.2 54833 16.3
18270 11.1 32972 15.1
15273 11 50132 14.3
52158 10.7 26162 13.9
8346 10.4 24584 13.4
49590 10.1 39071 13
26519 12.8
63854 12.5
48206 12.4
48239 12.1
25697 11.8
61010 11.5
32090 11.2
21989 11.2
22433 11.2
53285 11.2
33860 11.1
26720 11
11285 11
50135 11
12053 10.9
14066 10.8
38627 10.7
25148 10.6
37670 10.5
43919 10.5
28493 10.5
29126 10.1
30086 10.1
57053 10