Table 7.

Interaction types with surrounding amino acids of SARS CoV 2 Main Protease (PDB ID: 6XBH) with inhibitor Index number 847

Name	Distance(Å)	Interaction Types	From	From Chemistry	To	To Chemistry	Angle º DHA	Angle HAY º
A:SER144:HG -:RES1:O4	2.514	Conventional H-Bond	A:SER144:HG	H-Donor	:RES1:O4	H-Acceptor	108.8	93.5
A:CYS145:HN -:RES1:O5	2.570	Conventional H-Bond	A:CYS145:HN	H-Donor	:RES1:O5	H-Acceptor	161.8	137.2
A:GLU166:HN -:RES1:O3	1.866	Conventional H-Bond	A:GLU166:HN	H-Donor	:RES1:O3	H-Acceptor	127.0	137.9
A:GLN189:HE21 -:RES1:O7	1.574	Conventional H-Bond	A:GLN189:HE21	H-Donor	:RES1:O7	H-Acceptor	164.8	118.5
:RES1:H24 -A:HIS163:NE2	2.402	Conventional H-Bond	:RES1:H24	H-Donor	A:HIS163:NE2	H-Acceptor	172.3	100.4
:RES1:H29 -A:HIE41:ND1	2.649	Conventional H-Bond	:RES1:H29	H-Donor	A:HIE41:ND1	H-Acceptor	123.3	92.9
:RES1:H50 -A:HIE164:O	2.200	Conventional H-Bond	:RES1:H50	H-Donor	A:HIE164:O	H-Acceptor	121.3	151.2
A:GLY143:HA1 -:RES1:O5	3.069	Carbon H-Bond	A:GLY143:HA1	H-Donor	:RES1:O5	H-Acceptor	99.2	122.1
A:MET165:HA -:RES1:O3	2.676	Carbon H-Bond	A:MET165:HA	H-Donor	:RES1:O3	H-Acceptor	127.9	125.4
:RES1:H11 -A:ASN142:OD1	2.722	Carbon H-Bond	:RES1:H11	H-Donor	A:ASN142:OD1	H-Acceptor	144.8	133.3
:RES1:H12 -:RES1:O3	2.347	Carbon H-Bond	:RES1:H12	H-Donor	:RES1:O3	H-Acceptor	119.0	90.2
:RES1:H13 -A:LEU141:O	2.247	Carbon H-Bond	:RES1:H13	H-Donor	A:LEU141:O	H-Acceptor	145.8	113.8
:RES1:H9 -:RES1:O1	2.098	Carbon H-Bond	:RES1:H9	H-Donor	:RES1:O1	H-Acceptor	107.3	91.2
A:GLU166:OE1 -:RES1	4.471	Π-Anion	A:GLU166:OE1	Negative	:RES1	Π-Orbitals
:RES1:C31 -A:CYS44	4.628	Alkyl	:RES1:C31	Alkyl	A:CYS44	Alkyl
:RES1:C31 -A:MET49	4.519	Alkyl	:RES1:C31	Alkyl	A:MET49	Alkyl
:RES1:C32 -A:CYS44	4.050	Alkyl	:RES1:C32	Alkyl	A:CYS44	Alkyl
:RES1:C32 -A:MET49	4.152	Alkyl	:RES1:C32	Alkyl	A:MET49	Alkyl
A:HIE41 -:RES1:C32	4.043	Π-Alkyl	A:HIE41	Π-Orbitals	:RES1:C32	Alkyl
:RES1 -A:MET165	4.626	Π-Alkyl	:RES1	Π-Orbitals	A:MET165	Alkyl