Table 1. The Rosetta docking score to gp120 of the modified cyclotides versus KB1.
Groups | Number of compared structure | Binding score (Rosetta unit) | ||
---|---|---|---|---|
Average | Maximum | Minimum | ||
KB1 a | 8 b | -4.07 (±0.76) | -3.08 | -5.23 |
Modified KB1 | 910 | -5.01 (±0.79) | -2.24 | -7.95 |
a global docking mode;
b different orientations after clustering at the CD4-binding site