Table 3.
Number of hydrogen bonds maintained by ACE2 receptor - nCoV S-protein RBD complex during dynamic simulations intervals and its RMSD values.
Time Step (ns) | No. of Hbonds | RMSD (Å) |
|
---|---|---|---|
ACE2 receptor | nCoV S protein RBD | ||
10.00 | 10.00 | 3.54 | 2.56 |
20.00 | 16.00 | 3.48 | 2.51 |
30.00 | 11.00 | 3.30 | 2.33 |
40.00 | 10.00 | 3.39 | 2.56 |
50.00 | 8.00 | 3.20 | 2.63 |
60.00 | 11.00 | 3.30 | 2.57 |
70.00 | 10.00 | 3.20 | 2.73 |
80.00 | 10.00 | 3.03 | 2.64 |
90.00 | 11.00 | 3.09 | 2.65 |
100.00 | 12.00 | 3.17 | 2.65 |