Table 3.

Analysis of hydrogen bond interactions between DAPK1 and GluN2B-CT_1290–1310 complex 1.

Acceptor	DonorH	Donor	Frames	Occupancy a	AvgDist b	AvgAng c
100@OE1	1300@HH11	1300@NH1	13754	68.77%	2.92	149.35
100@OE2	1300@HH11	1300@NH1	13009	65.04%	2.92	150.07
100@OE1	1300@HE	1300@NE	11175	55.87%	2.99	148.35
100@OE2	1300@HE	1300@NE	10038	50.19%	3.00	148.24
161@OD2	1302@HD1	1302@ND1	9403	47.02%	2.88	158.51
161@OD2	1303@HG	1303@OG	9091	45.46%	2.78	157.89
143@OE2	302@HH22	302@NH2	11794	58.97%	2.90	152.66
143@OE1	302@HH22	302@NH2	10289	51.44%	3.02	146.13
143@OE1	302@HH12	302@NH1	9107	45.53%	2.87	157.70
1298@O	302@HH11	302@NH1	13591	67.95%	2.86	157.30

^aH-bond occupancy (%) as defined by the fraction of frames to evaluate the stability and the strength of the hydrogen bonds; only hydrogen bonds that existed more than 40% of the time were analyzed. ^bThe hydrogen bonds were determined as those having a donor-acceptor distance of less than 3.50 Å. ^cAcceptor H-donor angle of greater than 120°.