|
| Pocket 1 | Pocket 2 | Pocket 3 |
| Dansyl (L) Leucine |
|
|
|
| ΔGbinding (kJ∙mol−1) | −21.8938 | −8.4391 | −9.4166 |
| Percent occupied | 98.84% | 0.50% | 0.66% |
| Dansyl (D) Leucine |
|
|
|
| ΔGbinding (kJ∙mol−1) | −14.5811 | 0.1686 | −9.3757 |
| Percent occupied | 87.84% | 1.28% | 10.89% |
| Dansyl (L) Norleucine |
|
|
|
| ΔGbinding (kJ∙mol−1) | −22.1763 | −13.6191 | −12.2257 |
| Percent occupied | 95.17% | 3.07% | 1.76% |
| Dansyl (D) Norleucine |
|
|
|
| ΔGbinding (kJ∙mol−1) | −15.9457 | −7.8426 | −14.2665 |
| Percent occupied | 64.57% | 2.50% | 32.93% |
| Dansyl (L) Tryptophan |
|
|
|
| ΔGbinding (kJ∙mol−1) | −18.8091 | −11.5680 | −21.3329 |
| Percent occupied | 26.27% | 1.44% | 72.29% |
| Dansyl (D) Tryptophan |
|
|
|
| ΔGbinding (kJ∙mol−1) | −8.6631 | −13.6408 | −11.7956 |
| Percent occupied | 8.42% | 62.00% | 29.58% |
| Dansyl (L) Phenylalanine |
|
|
|
| ΔGbinding (kJ∙mol−1) | −12.4774 | −10.2752 | −13.3349 |
| Percent occupied | 35.41% | 14.64% | 49.95% |
| Dansyl (D) Phenylalanine |
|
|
|
| ΔGbinding (kJ∙mol−1) | −11.5032 | − | −12.0959 |
| Percent occupied | 44.08% | 0.00% | 55.92% |