Table 2. Hydrogen bonds around the catalytic triad (Asp³², His⁶⁴ and Ser²²¹) and oxyanion hole (Asn¹⁵⁵) of NK.

These hydrogen bonds were determined using DeepView 3.7.; bond length was determined by MD simulation.

	Proton-supplying group		Proton-accepting group
H-bonds	Residue	Atom	Residue	Atom	Bond length (Å)
1	Asp32	HN	Val93	O	2.2±0.2
2	Ser33	HN	Asp32	Oδ1	1.8±0.1
3	Ser33	HOγ	Asp60	Oδ1	1.7±0.1
4	Gly61	HN	Ser33	O	2.0±0.3
5	Ser62	HOγ	Ser33	Oγ	2.0±0.3
6	Ser62	HN	Asp60	Oδ1	2.7±0.7
7	Ser63	HN	Asp60	Oδ1	2.7±0.7
8	His64	HNe1	Asp32	Oδ1	1.8±0.1
9	His64	HNe1	Asp32	Oδ2	2.7±0.5
10	His64	HN	Ser62	Oγ	2.3±0.5
11	Thr66	HN	Asp60	Oδ2	1.9±0.2
12	Thr66	HOγ	Asp60	Oδ2	1.8±0.2
13	Val68	HN	His64	O	2.2±0.3
14	Val95	HN	Asp32	O	2.0±0.2
15	Thr220	HOγ	Asn155	Oδ	2.4±0.5
16	Thr220	HN	Asn155	Oδ	2.0±0.2