Research Article
Nearest-Neighbor Interactions and Their Influence on the Structural Aspects of Dipeptides
Table 2
Calculated bond lengths (in angstrom) for the peptide planes of the dipeptides; the gas phase values are given in brackets.
| | Dipeptides | C3–C4 | C4=O11 | C4–N6 | N6–H10 | N6–C7 |
| | Sec-Val | 1.540 (1.541) | 1.232 (1.223) | 1.349 (1.358) | 1.013 (1.011) | 1.448 (1.448) | | Sec-Leu | 1.538 (1.541) | 1.233 (1.224) | 1.347 (1.356) | 1.013 (1.012) | 1.450 (1.448) | | Sec-Asp | 1.539 (1.540) | 1.230 (1.221) | 1.353 (1.364) | 1.015 (1.014) | 1.446 (1.446) | | Sec-Ser | 1.540 (1.543) | 1.230 (1.221) | 1.353 (1.361) | 1.015 (1.013) | 1.451 (1.455) | | Sec-Gln | 1.538 (1.540) | 1.232 (1.223) | 1.348 (1.357) | 1.013 (1.012) | 1.452 (1.448) | | Sec-His | 1.541 (1.543) | 1.230 (1.221) | 1.354 (1.361) | 1.015 (1.013) | 1.454 (1.456) | | Sec-Pyl | 1.539 (1.542) | 1.233 (1.224) | 1.348 (1.357) | 1.014 (1.013) | 1.449 (1.449) |
| | Average | 1.539 (1.541) | 1.231 (1.222) | 1.350 (1.359) | 1.014 (1.013) | 1.450 (1.450) | | MDa | 0.002 (0.002) | 0.002 (0.002) | 0.004 (0.005) | 0.001 (0.002) | 0.004 (0.006) |
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Maximum deviation from average values.
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