Compound no. | S Kcal/Mol | Amino acid interactions | H bond length Ao |
---|---|---|---|
2 | -20.0584 | Lys 127, His 293 | 2.65, 2.81 |
3 | -13.8464 | Lys 127, Arg 327 | 2.39, 2.96 |
4 | -17.2063 | Lys 127, Arg 327 | 2.42-2.39, 2.45 |
5 | -13.6909 | Lys 127, His 45, Arg 327 | 2.57, 2.95, 2.36 |
6 | -18.0294 | Arg 327 | 2.45-3.02 |
7 | 11.0959 | --------------------------------- | --------------------------------- |
8 | -15.9006 | Lys 127, Arg 327 | 2.40, 2.30 |
9 | -5.1052 | His 45, Glu 153, Arg 327 | 2.75, 1.65, 2.36 |
10 | -17.1347 | Lys 127, Glu 153, His 45 | 2.75, 1.58, 2.87 |
11 | -12.0837 | Asn 167 | 2.65 |
12 | -19.6261 | Lys 127, Arg 327 | 2.59-2.84, 2.85 |
13 | -15.7402 | Lys 127, Glu 153, Arg 327 | 2.47, 1.93, 2.44 |
14 | -20.4078 | Asn 157, Lys 127 | 3.18, 2.66-2.79 |
15 | -18.8629 | Gln 163, Lys 127 | 2.22, 2.42-3.23 |
16 | 14.8212 | --------------------------------- | --------------------------------- |
17 | -20.6494 | Asn 157, His 45, Lys 127 | 3.24, 3.21, 2.68 |
18 | 6.1835 | --------------------------------- | --------------------------------- |
19 | 10.1989 | --------------------------------- | --------------------------------- |
20 | -17.2838 | Lys 127 | 2.51 |
21 | -17.6535 | Lys 127 | 2.51, 2.86 |
22 | -15.4395 | Arg 327, Glu 144 | 2.79, 1.47 |
23 | -19.4615 | Lys 127 | 2.54, 2.52 |
24 | -23.0582 | Arg 327, Lys 127, Glu 130 | 2.51-2.46, 2.75, 1.36 |