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. 2014 Dec 30;43(2):708–718. doi: 10.1093/nar/gku1344

Table 3. Percentage of time that a hydrogen bond is present in water and methanol simulations at the window around the minimum of the PMF as determined by the restraining distance R0.

ARG LYSH THR SER TYR ASN GLN ASP GLU
wat met wat met wat met wat met wat met wat met wat met wat met wat met
GUA-N1 0 0 0 0 2 11 4 11 0 4 1 8 1 9 54 92 53 77
GUA-N2 0 0 0 0 3 9 4 10 0 4 3 11 2 11 32 79 33 88
GUA-O6 0 32 8 30 2 6 3 7 0 1 2 13 1 11 0 0 0 0
GUA-N7 0 28 7 24 2 4 2 3 0 1 3 10 2 4 0 0 0 0
CYT-O2 3 59 11 36 4 14 7 13 0 3 4 16 4 16 0 0 0 0
CYT-N3 2 35 5 17 3 6 3 1 0 1 5 17 3 17 0 0 0 0
CYT-N4 0 0 0 0 5 10 4 12 0 7 4 22 4 16 37 76 36 80
URA-N3 0 0 0 0 5 13 5 14 0 0 1 7 4 9 45 31 33 26
THY-N3 0 0 0 0 6 9 8 19 0 0 0 4 3 9 44 62 28 68

We only show hydrogen bonds that were present more than 20% of the time.