Table 1 The comparison of the atom types and percentage of atom conservation.

From: Structural analysis of the coronavirus main protease for the design of pan-variant inhibitors

Amino acid

Residue

SARS-CoV

SARS-CoV-2

Reported literature

%

Atom type

Score

%

Atom type

Score

Cys

16

91.18

C

93

    

Met

17

93.14

C

95

    

Val

20

   

97.73

N

388

 

Gly

29

   

96.98

N3 (N)

385

 

Cys**

38

   

98.24

CT (CA)

390

 
   

97.73

N

388

 

Pro*

39

92.16

CT (CD)

94

97.48

CT (CD)

387

Bzówka et al.32

Lu et al.33

Ser

113

92.16

CT (CA)

94

    

Leu

115

93.14

C

95

    

92.16

CT (CB)

94

    

Gly*

146

91.18

C

93

97.48

C

387

 
  

93.14

O

95

97.48

N3 (N)

387

 

Val

148

94.12

O

96

    

Tyr

161

   

97.73

C

388

 
   

97.73

OH

388

 

Met*

162

95.10

N

97

96.98

CT (CA)

385

 

His

163

   

97.48

CT (CB)

387

Owen et al.18

Rossetti et al.40

His

172

   

97.23

CT (CA)

386

 

Ala

173

   

97.48

N

387

 

Gly

174

91.18

CT (CA)

93

    

Leu

177

   

97.23

O

386

 

Val**

202

   

98.24

CT (CA)

390

Günther et al.36

Kumar et al.39

Sultan et al.38

Verma et al.37

Leu

205

   

97.98

CT (CB)

389

 
  1. The data for each amino acid residue position from SARS-CoV versus SARS-CoV-2 Mpro with modified AMBER atom types are compared.
  2. CT any sp3 carbon, CA C-alpha carbon, CB C-beta carbon, CD C-delta carbon of the amino acids, for further explanation please refer to Supplementary 1 and 2 of Tanramluk17.
  3. *The pan-Coronaviral specific residues between SARS-CoV and SARS-CoV-2 Mpro.
  4. **The most conserved residue in SARS-CoV-2 Mpro.
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