Envelope (E) Google Drive Data

Envelope (E)– E protein acts as a viroporin and self-assembles in host membranes forming pentameric protein-lipid pores that allow ion transport. This protein is also involved with induction of host apoptosis. Additionally, it activates the host NLRP3 inflammasome which causes IL-1beta overproduction.² E protein mimics acetylated histones and binds at the same site on BRD-2. BRD-2 is involved with causing the hyper-immune response that SARS-CoV-2 patients often exhibit. Hydroxychloroquine (HCQ) may bind at the same place on BRD-2 where E protein binds, making it an effective BRD-2 inhibitor. Another drug, celecoxib (Celebrex), also binds in the same pocket of BRD-2. ³⁶

Envelope (E) 94 Sequences

Amino Acid	AA	AA	Conservation	Conservation Z-score	RMSD_CA	RMSF[A]	Secondary Structure	DCCM >0.9
1	M	MET	0.872340426	1.380597391	9.833	11.432	C	2
2	Y	TYR	0.382978723	-0.726951724	7.831	8.672	T	2
3	S	SER	0.382978723	-0.726951724	6.485	7.75	T	3
4	F	PHE	0.744680851	0.83080197	8.965	10.538	T	2
5	V	VAL	0.744680851	0.83080197	9.446	8.963	T	2
6	S	SER	0.393617021	-0.681135439	7.574	6.144	C	1
7	E	GLU	0.64893617	0.418455404	7.15	5.735	C	0
8	E	GLU	0.382978723	-0.726951724	5.856	5.815	T	0
9	T	THR	0.5	-0.222972587	6.023	4.859	T	0
10	G	GLY	0.734042553	0.784985685	3.945	3.918	T	0
11	T	THR	0.436170213	-0.497870298	3.999	4.397	T	0
12	L	LEU	0.382978723	-0.726951724	7.124	5.163	C	0
13	I	ILE	0.787234043	1.01406711	5.202	4	C	0
14	V	VAL	0.776595745	0.968250825	6.481	3.612	H	2
15	N	ASN	0.85106383	1.288964821	8.767	4.027	H	3
16	S	SER	0.457446809	-0.406237728	7.022	3.544	H	1
17	V	VAL	0.393617021	-0.681135439	5.528	3.264	H	2
18	L	LEU	0.35106383	-0.864400579	8.867	3.773	H	5
19	L	LEU	0.468085106	-0.360421443	9.016	3.731	H	4
20	F	PHE	0.361702128	-0.818584294	6.036	3.191	H	4
21	L	LEU	0.404255319	-0.635319153	7.874	3.576	H	4
22	A	ALA	0.489361702	-0.268788873	9.958	3.767	H	5
23	F	PHE	0.361702128	-0.818584294	7.623	3.041	H	5
24	V	VAL	0.393617021	-0.681135439	6.59	3.312	H	4
25	V	VAL	0.542553191	-0.039707447	9.557	4.347	H	7
26	F	PHE	0.404255319	-0.635319153	9.246	3.823	H	6
27	L	LEU	0.79787234	1.059883395	6.449	3.009	H	6
28	L	LEU	0.755319149	0.876618255	8.262	4.419	H	6
29	V	VAL	0.787234043	1.01406711	9.653	4.97	H	10
30	T	THR	0.329787234	-0.956033149	7.225	3.463	H	7
31	L	LEU	0.436170213	-0.497870298	5.97	3.619	H	8
32	A	ALA	0.968085106	1.792943957	9.13	5.084	H	8
33	I	ILE	0.468085106	-0.360421443	8.749	5.027	H	7
34	L	LEU	0.989361702	1.884576527	5.744	3.211	H	9
35	T	THR	0.734042553	0.784985685	7.26	4.423	H	5
36	A	ALA	0.712765957	0.693353115	9.611	5.658	H	8
37	L	LEU	0.361702128	-0.818584294	7.632	5.048	H	4
38	R	ARG	0.787234043	1.01406711	6.204	5.378	C	5
39	L	LEU	0.968085106	1.792943957	3.402	3.277	H	1
40	C	CYS	0.968085106	1.792943957	3.417	2.893	H	0
41	A	ALA	0.361702128	-0.818584294	5.03	3.743	H	0
42	Y	TYR	0.35106383	-0.864400579	4.214	3.426	H	0
43	C	CYS	0.85106383	1.288964821	3.084	2.822	H	0
44	C	CYS	0.627659574	0.326822834	3.045	3.262	H	0
45	N	ASN	0.361702128	-0.818584294	5.687	4.345	H	0
46	I	ILE	0.382978723	-0.726951724	6.658	4.374	H	0
47	V	VAL	0.478723404	-0.314605158	5.294	3.69	H	0
48	N	ASN	0.925531915	1.609678817	5.053	4.481	H	1
49	V	VAL	0.457446809	-0.406237728	8.054	5.945	C	1
50	S	SER	0.361702128	-0.818584294	7.979	5.307	C	1
51	L	LEU	0.765957447	0.92243454	7.614	5.06	C	1
52	V	VAL	0.70212766	0.647536829	7.253	3.834	C	0
53	K	LYS	0.372340426	-0.772768009	7.797	4.832	G	0
54	P	PRO	0.989361702	1.884576527	8.56	3.879	G	0
55	S	SER	0.159574468	-1.689093711	8.731	3.444	G	0
56	F	PHE	0.117021277	-1.872358851	9.606	3.845	G	0
57	Y	TYR	0.840425532	1.243148536	8.814	3.435	G	0
58	V	VAL	0.574468085	0.097741408	8.528	4.097	H	0
59	Y	TYR	0.978723404	1.838760242	9.291	4.535	H	0
60	S	SER	0.361702128	-0.818584294	8.916	3.015	H	0
61	R	ARG	0.478723404	-0.314605158	6.794	3.742	H	0
62	V	VAL	0.35106383	-0.864400579	4.627	2.923	H	0
63	K	LYS	0.563829787	0.051925123	6.98	3.779	H	0
64	N	ASN	0.393617021	-0.681135439	8.683	3.548	H	1
65	L	LEU	0.478723404	-0.314605158	6.905	3.185	H	1
66	N	ASN	0.35106383	-0.864400579	8.922	4.614	H	0
67	S	SER	0.372340426	-0.772768009	11.888	5.696	H	1
68	S	SER	0.340425532	-0.910216864	12.997	5.572	C	2
69	R	ARG	0.021276596	-2.284705417	13.622	5.448	C	2
70	V	VAL	0.35106383	-0.864400579	14.332	6.923	C	2
71	P	PRO	0.914893617	1.563862531	12.968	7.124	C	1
72	D	ASP	0.457446809	-0.406237728	12.319	6.598	T	1
73	L	LEU	0.755319149	0.876618255	16.678	8.752	T	2
74	L	LEU	0.372340426	-0.772768009	17.603	9.962	T	2
75	V	VAL	0.446808511	-0.452054013	17.814	9.778	T	1

2.            I-TASSER server for protein structure and function prediction [Internet]. [cited 2020 Apr 12];Available from: https://zhanglab.ccmb.med.umich.edu/I-TASSER/

36.         Khupse R, Dixit P. Potential Antiviral Mechanism of Hydroxychloroquine in COVID-19 and Further Extrapolation to Celecoxib (Celebrex) for Future Clinical Trials. [Internet]. Rochester, NY: Social Science Research Network; 2020 [cited 2020 Apr 10]. Available from: https://papers.ssrn.com/abstract=3570102