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. 2023 Apr 22;161:106971. doi: 10.1016/j.compbiomed.2023.106971

Table 3.

Physicochemical properties and model quality statistics of the four proteins of mpox virus identified through subtractive proteomics.

Features Core protease I7 DNA topoisomerase 1B Early transcription factor 70 kDa small subunit DNA polymerase processivity factor
Gene Name I7L TopIB VETFS A20R
Enzyme Commision (EC) 3.2.22.- 5.99.1.2 3.6.4.13 3.-
KEGG Orthology (KO) Identifier K21082
Closest Crystal Structure 2H7G (97.77%, 100%)) 7AMV (99.69%, 100%) 6ZXP (96.75%, 28%)
Length (Amino Acid) 423 aa 314 aa 637 aa 426 aa
Mol. Weight (Dalton) 49023.57 36665.56 73844.91 49147.14
pI 7.85 9.50 6.93 5.62
Instability Index 33.81 40.22 34.45 36.35
Aliphatic Index 83.14 88.03 97.85 92.77
GRAVY −0.22 −0.32 −0.17 −0.26
Predicted IDDT Score 0.64 0.87 0.70 0.80
Overall Quality Score 95.42 95.75 95.66 91.87
MolProbity Score 1.44 (96th percentile) 0.90 (100th percentile) 1.40 (97th percentile) 1.37 (98th percentile)
Clash Score 3.49 (97th percentile) 1.53 (99th percentile) 2.78 (98th percentile) 2.88 (98th percentile)
Poor Rotamers (%) 0 0 0 0
RamaPlot Most Favoured (%) 95.72 (403 aa) 100.00 (312 aa) 95.12 (604 aa) 95.80 (406 aa)
RamaPlot Allowed (%) 3.8 (16 aa) 0 3.48 (22 aa) 4 (17 aa)
RamaPlot Disallowed (%) 0.48 (2 aa) 0 1.42 (9 aa) 0.24 (1 aa)