Table 2.
The Total Interaction energy of Standard X77 and Narcissoside with corona virus protein 6W63 COVID -19.
S.No. | Target Atoms: Molecule | Residue | ID | Total Energy of Interaction |
|
---|---|---|---|---|---|
Standard X77 | Narcissoside | ||||
1 | 6W63 [A] | Arg | 188 | −7.66744 | −10.9985 |
2 | 6W63 [A] | Asn | 142 | −15.5609 | −19.9549 |
3 | 6W63 [A] | Asp | 187 | −5.02839 | −2.15432 |
4 | 6W63 [A] | Cys | 44 | −0.895733 | −1.73084 |
5 | 6W63 [A] | Cys | 145 | −10.3877 | −5.53185 |
6 | 6W63 [A] | Gln | 189 | −9.77781 | −12.3962 |
7 | 6W63 [A] | Gln | 192 | −0.400777 | −7.60682 |
8 | 6W63 [A] | Glu | 166 | −23.2155 | −21.4249 |
9 | 6W63 [A] | Gly | 143 | −7.30909 | −2.03337 |
10 | 6W63 [A] | His | 41 | −23.5486 | −25.5306 |
11 | 6W63 [A] | His | 163 | −2.50682 | −0.714996 |
12 | 6W63 [A] | His | 164 | −4.38194 | −6.59603 |
13 | 6W63 [A] | His | 172 | −1.35267 | NA |
14 | 6W63 [A] | Leu | 27 | −3.6484 | NA |
15 | 6W63 [A] | Leu | 141 | −7.1357 | −3.79481 |
16 | 6W63 [A] | Leu | 167 | NA | −5.21798 |
17 | 6W63 [A] | Met | 49 | −4.62123 | −14.7328 |
18 | 6W63 [A] | Met | 165 | −20.9047 | −23.4037 |
19 | 6W63 [A] | Phe | 140 | −5.14266 | −0.782012 |
20 | 6W63 [A] | Pro | 52 | NA | −0.357936 |
21 | 6W63 [A] | Pro | 168 | NA | −2.51004 |
22 | 6W63 [A] | Ser | 144 | −6.14224 | −1.10625 |
23 | 6W63 [A] | Thr | 25 | −0.777035 | −0.430475 |
24 | 6W63 [A] | Thr | 26 | −1.97101 | NA |
25 | 6W63 [A] | Thr | 190 | −0.547215 | −6.94543 |
26 | 6W63 [A] | Tyr | 54 | −1.20212 | −0.778733 |
27 | 6W63 [A] | Val | 186 | −0.313283 | −0.87103 |