Table 2.

Inter-domain (pro-domain/protease domain) and inter-subdomain (RSD/LSD) interactions in ΔN1pro-cd-InpA.

Pro-domain	Protease moiety	Dist.(Å)	RSD	LSD	Dist.(Å)
van-der-Waals interactions			van-der-Waals interactions
Phe61 Cζ	Val328 Cγ1	3.59	Leu128 Cδ2	Gln161 Cβ	3.97
Pro71 Cγ	Lys333 Cε	3.72	Leu128 Cδ1	Tyr165 Cβ	3.82
Pro71 Cγ	Leu336 Cδ2	3.79	Thr130 Cδ2	Trp132 Cε2	3.50
Leu73 Cδ2	Leu317 Cδ2	3.68	Ala262 Cβ	Leu253 Cβ	3.90
Gly75 Cα	Tyr332 Cδ1	3.81	Tyr264 Cδ2	Met246 Cβ	3.66
Phe81 Cδ1	Val328 Cγ1	3.90	Tyr264 Cδ1	Thr247 Cβ	3.70
Pro87 Cδ	Trp324 Cε3	3.50	Pro288 Cγ	Tyr165 Cδ2	3.71
Phe89 Cγ	Val328 Cγ2	3.63	Pro288 Cδ	Phe166 Cζ	3.73
Trp91 Cζ3	Phe307 Cε2	3.90	Ile290 Cγ1	Val162 Cγ2	3.79
Trp91 Cη2	Leu337 Cδ1	3.91	Ile290 Cγ2	Met246 Cε	3.93
Trp91 Cζ2	Gln349 Cγ	3.78	Ile290 Cδ1	Leu253 Cδ1	3.94
Trp92 Cβ	Trp322 Cη2	3.60	Val294 Cγ2	Tyr245 Cε2	3.58
Trp92 Cη2	Tyr332 Cδ1	3.58	Ala306 Cβ	Met246 Cε	3.74
Trp92 Cδ1	Leu337 Cδ1	3.97	Val308 Cγ1	Val162 Cγ2	3.67
Lys94 Cδ	Phe345 Cε1	3.57	Asp350 Cβ	Met246 Cγ	3.73
Ala95 Cα	Phe345 Cβ	3.97	Val352 Cγ2	Met246 Sδ	3.91
Ile96 Cδ1	Leu336 Cδ1	3.73	Val352 Cγ1	Leu253 Cδ1	3.93
Val99 Cγ2	Leu337 Cδ2	3.95	Val355 Cγ1	Val162 Cγ1	3.86
Val99 Cγ1	Thr346 Cγ2	3.35	Val355 Cγ1	Leu163 Cδ1	3.88
Hydrogen bonds			Val355 Cγ2	Leu253 Cδ1	3.80
Leu74 O	Lys333 N	2.87	Val355 Cγ1	Phe259 Cε1	3.75
Val76 N	Tyr331 O	2.79	Tyr356 Cα	Phe166 Cζ	3.62
Ser77 Oγ	Asp329 O	2.72	Hydrogen bonds
Thr84 Oγ1	Asp327 Oδ1	2.75	Thr129 Oγ1	Asp206 Oδ1	2.85
Asn86 Oδ2	Asp327 O	3.19	Thr130 Oγ1	Gln161 Oε1	2.75
Ser88 Oγ	Ala306 N	3.01	Thr131 N	Asp206 O	2.97
Trp91 Nε1	Phe345 O	2.92	Thr260 N	Gly258 O	2.99
Trp92 Nε1	Lys333 O	2.87	Asp261 N	Phe259 O	3.05
Glu98 Oε1	Phe345 N	2.83	Ala262 O	Arg254 Nη1	2.78
Glu98 Oε2	Thr346 N	3.04	Ala262 N	Phe259 O	3.03
Asn111 Nδ2	Asp272 Oδ2	2.48	Asn321 Oδ1	Gln161 Nε2	2.97
Asn111 Oε1	Asp335 O	3.17	Trp324 N	Trp132 O	3.33
			Asn325 N	Trp132 O	2.97
			Lys358 Nζ	Tyr168 Oη	2.80