TABLE 1.
GBVI (GBVI/WSA dG scoring) of the top 10 ranked peptides and TAK-875 in the docking results.
| Name | Ranking | GBVI | Sequence |
| 4-15 | 1 | −10.2063 | (G28)(NI42)(L18)(CM25) |
| 5-1 | 2 | −9.62029 | (P80)(G35)(P40)(F117)(AM18) |
| 4-4 | 3 | −9.57896 | (P131)(P107)(AM47)(A60) |
| 4-10 | 4 | −9.43213 | (A109)(Y40)(CM28)(P103) |
| 4-1 | 5 | −9.38494 | (P44)(G22)(L09)(F87) |
| 5-2 | 6 | −9.17657 | (P95)(G32)(G34)(A96)(CM25) |
| 3-12 | 7 | −9.16672 | (P93)(G28)(W026) |
| 3-13 | 8 | −9.04828 | (P97)(A108)(P91) |
| 5-3 | 9 | −8.88673 | (RK20)(G31)(L04)(P40)(W030) |
| 4-5 | 10 | −8.76586 | (A109)(G19)(P52)(NM26) |
| TAK-875 | −9.74940 |
GBVI/WSA, generalized Born/volume integral/weighted surface area.