Research Article
Nearest-Neighbor Interactions and Their Influence on the Structural Aspects of Dipeptides
Table 5
Calculated bond angles (in degrees) for the α-carbon atoms of the dipeptides; the gas phase values are given in brackets.
| | Dipeptides | -carbon atoms C3 | -carbon atoms C7 | | N5–C3–C2 | N5–C3–C4 | C2–C3–C4 | N6–C7–C8 | N6–C7–C9 | C9–C7–C8 |
| | Sec-Val | 113.4 (114.5) | 110.9 (110.4) | 111.5 (110.9) | 113.7 (113.5) | 112.9 (113.5) | 110.3 (110.2) | | Sec-Leu | 113.3 (114.2) | 110.8 (110.6) | 111.5 (111.0) | 112.9 (113.3) | 112.1 (112.8) | 109.2 (109.8) | | Sec-Asp | 113.6 (114.6) | 110.8 (109.0) | 111.5 (110.6) | 114.1 (111.9) | 111.6 (112.6) | 109.9 (110.1) | | Sec-Ser | 113.4 (114.5) | 110.7 (110.2) | 111.5 (110.8) | 110.6 (109.5) | 110.7 (110.9) | 111.3 (111.7) | | Sec-Gln | 113.6 (114.3) | 110.6 (110.6) | 111.5 (110.9) | 112.6 (113.5) | 109.2 (109.9) | 111.0 (110.7) | | Sec-His | 113.6 (114.5) | 110.6 (110.2) | 111.5 (110.9) | 108.8 (108.3) | 110.6 (111.2) | 113.5 (113.0) | | Sec-Pyl | 113.3 (114.4) | 110.9 (110.5) | 111.5 (110.8) | 113.7 (113.1) | 111.3 (112.8) | 109.5 (111.9) |
| | Average | 113.5 (114.4) | 110.8 (110.2) | 111.5 (110.8) | 112.3 (111.9) | 111.2 (112.0) | 110.7 (111.1) | | MDa | 0.2 (0.2) | 0.2 (1.2) | 0.0 (0.2) | 3.5 (3.6) | 2.0 (2.1) | 2.8 (1.9) |
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Maximum deviation from average values.
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