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. 2022 Mar 18;13:721103. doi: 10.3389/fmicb.2022.721103

Table 1.

PrankWeb result summary of RdRp and 3CL protease of SARS-CoV-2.

Target protein Amino acids make up the pocket Depth (Å) Surface (Å2) Volume (Å3) Hydrophobicity ratio Amino acid composition: (apolar, polar, positive, negative amino acid) ratio Grid center (Å)
x Y z
RdRp (PDB:6 M71) TRP 617, ASP 618, TYR 619, LEU 758, SER 759, ASP 760, ASP 761, ALA 762, LYS 798, TRP 800, GLU 811, CYS 813, SER 814 14.62 1223.18 839.19 0.54 0.45, 0.33, 0.12, 0.09 116.7829 109.9570 123.9430
3CL protease (PDB:6M2N) PHE 140, LEU 141, ASN 142, GLY143, SER144, CYS 145, HIS163, HIS 164, MET 165, GLU 166, ASP 187, GLN 189, THR 25, THR 26, LEU 27, HIS 41, CYS 44, THR 45, MET 49. 17.18 762.59 633.10 0.41 0.37, 0.37, 0.17, 0.10 −47.5857 1.1355 −5.6005