Research Article
Nearest-Neighbor Interactions and Their Influence on the Structural Aspects of Dipeptides
Table 3
Calculated bond angles (in degrees) for the peptide planes of the dipeptides; the gas phase values are given in brackets.
| | Dipeptides | C3–C4–O11 | C3–C4–N6 | O11–C4–N6 | C4–N6–C7 | C4–N6–H10 | H10–N6–C7 |
| | Sec-Val | 121.2 (121.4) | 114.8 (114.6) | 123.9 (124.0) | 123.5 (122.6) | 115.3 (115.9) | 121.1 (121.0) | | Sec-Leu | 121.4 (121.4) | 115.4 (114.8) | 123.2 (123.8) | 122.6 (122.9) | 116.3 (116.1) | 121.0 (120.6) | | Sec-Asp | 121.6 (122.4) | 114.6 (113.9) | 123.8 (123.6) | 123.4 (121.4) | 115.6 (114.9) | 120.9 (119.9) | | Sec-Ser | 121.5 (121.7) | 114.4 (114.3) | 124.1 (124.0) | 123.6 (122.7) | 115.7 (116.8) | 120.7 (120.4) | | Sec-Gln | 121.8 (121.6) | 115.2 (114.9) | 122.9 (123.5) | 122.5 (122.2) | 116.5 (116.6) | 121.0 (121.0) | | Sec-His | 121.6 (121.8) | 114.3 (114.2) | 124.1 (124.0) | 123.8 (122.8) | 115.6 (116.6) | 120.5 (120.4) | | Sec-Pyl | 121.3 (121.4) | 115.1 (114.5) | 123.5 (124.1) | 123.2 (123.0) | 115.9 (116.3) | 120.9 (120.6) |
| | Average | 121.5 (121.7) | 114.8 (114.5) | 123.6 (123.9) | 123.2 (122.5) | 115.8 (116.2) | 120.9 (120.6) | | MDa | 0.3 (0.7) | 0.6 (0.6) | 0.7 (0.4) | 0.7 (1.1) | 0.7 (1.3) | 0.4 (0.7) |
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Maximum deviation from average values.
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