Table 5. Residue-Wise ΔGbind Contribution of Ligands with h-telo 22-mer Quadruplexa.
| residues | ALI-C3 | BBZ-ARO | BBZ-AROCH2 | BMSG-SH-3 |
|---|---|---|---|---|
| T1 | –12.93 | –12.31 | –1.20 | –5.89 |
| G2 | –0.85 | –13.84 | ||
| G3 | –3.59 | –19.25 | ||
| G4 | –0.48 | –0.41 | –14.20 | |
| T5 | –3.73 | |||
| T6 | ||||
| A7 | –0.01 | |||
| G8 | –0.01 | |||
| G9 | –0.32 | –0.12 | –8.81 | |
| G10 | –5.21 | –1.71 | ||
| T11 | –1.02 | –8.92 | –0.76 | –16.40 |
| G14 | –4.87 | –5.75 | –1.43 | –0.55 |
| G15 | –1.12 | –3.99 | –13.44 | –0.20 |
| G16 | –6.18 | –1.23 | –6.27 | –0.13 |
| T17 | –3.89 | –0.13 | –0.19 | |
| G19 | ||||
| A20 | –0.02 | |||
| G21 | –0.15 | –0.12 | ||
| G22 | –0.10 | –0.22 | –3.56 | –0.22 |
a
All energies are in kcal mol–1.