A Network Pharmacology-Based Approach to Investigate the Novel TCM Formula against Huntington’s Disease and Validated by Support Vector Machine Model

Table 9

Main H-bond distance occupancy information for complexes.

H-bond	Occupancy	Maximum (nm)	Minimum (nm)	H-bond	Occupancy	Maximum (nm)	Minimum (nm)
CK2-Flazine				CK2-Typhic Acid
HE/ARG48:N13	0.647	0.931	0.222	HE/ARG48:O25	0.796	1.254	0.156
HE/ARG48:O22	0.564	0.894	0.151	HE/ARG48:O26	0.838	1.437	0.150
HE/ARG48:O23	0.731	0.679	0.151	HH21/ARG48:O25	0.697	1.323	0.148
HH21/ARG48: N13	0.783	0.891	0.190	HH21/ARG48:O26	0.759	1.519	0.149
HH21/ARG48:O23	0.606	0.765	0.156	HN/ASN119:O16	0.848	0.883	0.158
STK3-2,2′-[Benzene-1,4-diylbis(methanediyl-ox; ybenzene-4,1-diyl)]bis(oxoacetic acid)				STK3-Control
HN/GLU35:O8	0.627	2.441	0.177	HN/SER37:O11	0.964	0.452	0.154
HN/GLY36:O10	0.739	2.937	0.154	HZ1/LYS56:N8	0.919	0.559	0.220
HN/GLY36:O11	0.743	2.928	0.158	H32:OE1/GLU70	0.993	0.490	0.150
HN/SER37:O10	0.752	2.962	0.156	H32:OE2/GLU70	0.994	0.403	0.145
HN/SER37:O11	0.747	2.976	0.154	H33:OE1/GLU70	0.992	0.542	0.139
HN/TYR38:O11	0.621	3.100	0.159	H35:OD2/ASP164	0.984	0.531	0.151
LATS1-(+)-Taraxafolin B				mtHSP70-Cassaine
HG1/SER577:O17	0.181	2.211	0.155	H62: N/LYS314	0.063	1.016	0.257
HG1/SER577:O18	0.194	2.051	0.156	H69: OD1/ASP59	0.596	0.562	0.144
HZ1/LYS581:O17	0.168	3.049	0.150	H69: OD2/ASP59	0.596	0.426	0.148
HZ1/LYS607:O18	0.158	3.026	0.152
HH21/ARG618:O9	0.241	1.473	0.167
mtHSP70-Febrifugine				mtHSP70-Holantosine C
HN/GLY247: O11	0.852	0.800	0.156	HG1/SER321:O24	0.313	1.569	0.167
HN/GLY248: O11	0.740	1.009	0.169	HN/GLY387:O34	0.617	0.781	0.185
H41:OG1/THR249	0.448	0.982	0.160	H75:OD1/ASP59	0.253	0.984	0.148
H42:OD1/ASP59	0.997	0.990	0.143	H75:OD2/ASP59	0.274	0.903	0.146
H42:OD2/ASP59	0.997	0.849	0.147	H75:O/ASN64	0.201	0.786	0.159