Figure 1 | Scientific Reports

Figure 1

From: Hot spot profiles of SARS-CoV-2 and human ACE2 receptor protein protein interaction obtained by density functional tight binding fragment molecular orbital method

Figure 1

Interaction map among hACE2, SAS-CoV-1, HCoV-NL63, SARS-CoV-2, and SARS-CoV-1 antibodies. 3D-SPIEs-based interaction map consists of hACE2, RBD domains from SARS-CoV-1, HCoV-NL63, SARS-CoV-2, four SARS-CoV-1 antibodies, and one SARS-CoV-2 antibody. The interactions between hACE2 and RBD domain from SARS-CoV-2 are shown in the left-hand with black arrows. The interactions between one antibody (B38) and RBD domain from SARS-CoV-2 are shown in the left-hand with color bars. The interactions in hACE2 and RBD domain from SARS-CoV-1 are shown in the right-hand with black arrows. The interactions between hACE2 and HCoV-NL63 are colored in green in the middle. The interactions between four antibodies (80R, m395, S320, and F26G13) and RBD domain from SAR-CoV-1 are shown in the right-hand with color bars. the main hot spot region is colored in light red, and the secondary hot spot region in hACE2 is colored in light blue, and All interactions shown in this map have attractive PIE value more stable than − 3.0 kcal/mol, whose magnitudes are ignored.

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