Dissection of Factors Affecting the Variability of the Peptide Bond Geometry and Planarity

Table 6

Average values (°) of the bond angles NC^αC, NC^αC^β, C^βC^αC, C^αCO, C^αCN⁺¹, OCN⁺¹, and C⁻¹NC^α for each amino acid residue type in β-sheet in the 15° × 15° box centered at (ϕ, ψ) = (−120°, 130°). No Pro residues have been found in Data 1.6 for this box.

Residue	Occurrence	NC^αC	NC^αC^β	C^βC^αC	C^αCO	C^αCN^+1	OCN^+1	C^−1NC^α
Ala	559	108.9	110.7	110.0	120.4	116.3	123.3	122.4
Leu	1717	108.9	110.4	109.3	120.3	116.5	123.2	122.8
Met	252	109.0	110.6	109.9	120.4	116.3	123.3	122.4
Ile	2816	108.4	111.4	109.8	120.4	116.3	123.2	122.6
Val	3793	108.6	111.4	109.9	120.4	116.3	123.2	122.5
Cys	182	109.7	110.2	109.3	120.2	116.5	123.3	122.5
Asn	170	109.0	110.5	109.4	120.2	116.4	123.3	122.6
Gln	325	109.0	110.6	109.7	120.5	116.2	123.3	122.3
Ser	382	109.3	110.5	109.6	120.4	116.4	123.3	122.4
Thr	1369	109.0	110.9	109.8	120.4	116.2	123.3	122.4
Phe	670	109.0	110.5	109.3	120.3	116.4	123.2	122.8
Trp	202	108.7	110.6	109.1	120.4	116.4	123.2	123.0
Tyr	624	109.1	110.5	109.4	120.4	116.4	123.2	122.9
Asp	131	108.7	110.5	109.4	120.2	116.5	123.3	122.5
Glu	575	108.8	110.7	109.8	120.5	116.3	123.2	122.4
His	245	109.2	110.3	109.2	120.3	116.4	123.3	122.7
Lys	541	108.8	110.7	109.9	120.4	116.4	123.1	122.5
Arg	580	108.8	110.6	109.8	120.4	116.4	123.2	122.5
Gly	140	110.0	—	—	120.3	116.3	123.3	121.9