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. 2018 Sep 3;7(9):696–700. doi: 10.1002/open.201800137

Table 3.

Valine in tripeptides.

Entry CSD symbol[a] Tripeptide Chirality chain Distances [Å] Attraction CαN/C′O angles [°] Comments
Config.
Cα
Ocis‐C′‐Cα‐N
ψ [°]
Otrans(Namide)‐C′α‐Ocis
θ [°]
Ocis−N Ocis−C(iPr) N‐Cα‐C′(O) (iPr)C‐Cα‐C′(O)
1 DVLTLV10[b] Val‐Trp‐Val DLL 15.58 177.88 2.87 3.07 107.25 110.44 amino end (D)
2 AQOWAE Val‐Gly‐Gly L −0.79 −179.35 2.70 3.52 109.44 111.35 carboxy end, HCl
3 BEVYIL Val‐Val‐Val LLL −31.74 −176.74 2.75 3.26 109.74 109.47 carboxy end,
CF3COOH
4 XEPZAU(1) Val‐Ile‐Ala LLL −42.92 −177.06 2.74 3.15 107.71 112.67
5 BEVYIL Val‐Val‐Val LLL −43.80 −176.67 2.76 3.06 107.23 108.82 amino end,
CF3COOH
6 XEPZAU(2) Val‐Ile‐Ala LLL −44.68 −174.99 2.74 3.08 107.34 110.63
7 XEPZAU(3) Val‐Ile‐Ala LLL −46.51 −178.50 2.74 3.05 105.97 110.19
8 XEPZAU(4) Val‐Ile‐Ala LLL −47.69 −177.44 2.76 3.05 106.91 110.16
9 BEVYIL Val‐Val‐Val LLL −50.01 −177.49 2.81 3.06 108.95 110.31 carboxy end
10 CUWRUH Gly‐Gly‐Val L −50.71 −180.21 2.86 3.11 110.28 111.96
11 DVLTLV10 Val‐Trp‐Val DLL −52.20 −178.29 2.62 3.35 110.03 111.68 carboxy end (L)
12 BEVYIL Val‐Val‐Val LLL −54.03 −178.68 2.82 3.03 106.78 109.25 middle
CF3COOH
13 BEVYIL Val‐Val‐Val LLL −54.47 −176.94 2.89 2.96 106.41 108.78 amino end
14 COPBIS10 Val‐Gly‐Gly L −58.32 −178.58 2.86 3.00 107.05 110.78 amino end
15 BEVYIL Val‐Val‐Val LLL −58.51 −179.75 2.84 3.01 106.02 110.55 middle
Average −43.46 −177.91 2.78 3.12 107.81 110.47

[a] Parenthesis ( ) indicate independent molecules in the unit cell. [b] For average calculation rotation angle and pyramidalization angle inverted.